1-Methyl-4-(piperidin-4-yl)piperazine

HCID 795707
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Basic information

CAS
53617-36-0
Standard SMILES
CN1CCN(C2CCNCC2)CC1
InChIKey
MRYYJGQKVGZGSB-UHFFFAOYSA-N
Molecular formula
C10H21N3
Average molar mass
183.29 g/mol
Monoisotopic mass
183.17354767

Names & identifiers

Preferred name
1-Methyl-4-(piperidin-4-yl)piperazine
IUPAC
1-methyl-4-piperidin-4-ylpiperazine
English name
1-METHYL-4-(PIPERIDIN-4-YL)-PIPERAZINE
Molecular formula
C10H21N3.C2H4O2
Molecular weight
243.35

Names & synonyms

1-Methyl-4-(piperidin-4-yl)piperazine53617-36-0DTXSID30912521RefChem:434353DTXCID201341538679-454-21-methyl-4-(4-piperidinyl)piperazine1-Methyl-4-(piperidin-4-yl)-piperazine1-methyl-4-piperidin-4-ylpiperazine1-Methyl-4-piperidin-4-yl-piperazineC10H21N3MFCD03274729
Show more names
TIMTEC-BB SBB0101831-methyl-4-(4-piperidinyl)piperazine monoacetate
99726-99-51-methyl-4-(4-piperidyl)piperazineEN300-3650334-methyl-1-(4-piperidyl)piperazinePiperazine, 1-methyl-4-(4-piperidinyl)-1-Methyl-4-(4-piperidino)piperazine1 Methyl-4-(piperidin-4-yl)piperazineBrigatinib RC 1 (Base)

Database identifiers

CAS
53617-36-0、99726-99-5
PubChem CID
795707
DTXSID
DTXSID30912521
EC Number
673-024-8、679-454-2
Nikkaji
J2.867.589E

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
56 · 56-57°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H332-H302-H319-H312
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xn

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (17.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Skin Corr. 1B (17.3%)

Safety data

risk_code
36/37/38-41-37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36/37/39-39
Hazard statements
H315-H335-H332-H302-H319-H312

Chemistry & industry

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

92 records
New reaction record

Compound notes

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