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N-(4-Chlorophenyl)-1-isopropylpiperidin-4-amine

HCID 3017394
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
63260-78-6
Standard SMILES
CC(C)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIKey
JLLCBWRGOGXRBX-UHFFFAOYSA-N
Molecular formula
C14H21ClN2
Average molar mass
252.78 g/mol
Monoisotopic mass
252.13932635

Names & identifiers

Preferred name
N-(4-Chlorophenyl)-1-isopropylpiperidin-4-amine
IUPAC
N-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amine
English name
N-(4-chlorophenyl)-1-isopropylpiperidin-4-amine
Molecular formula
C14H21ClN2
Molecular weight
252.78

Names & synonyms

63260-78-6N-(4-Chlorophenyl)-1-isopropylpiperidin-4-amineN-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-amineEINECS 264-053-3N-(4-Chlorophenyl)-1-(propan-2-yl)piperidin-4-amineN-(4-chlorophenyl)-1-(1-methylethyl)-4-piperidinamineSCHEMBL11457316DTXSID90979317AKOS000235372NS00057166N-(4-chlorophenyl)1-(1-methylethyl)-4-piperidinamine4-((4-Chlorophenyl)amino)-1-isopropylpiperidine
Show more names
4-Piperidinamine, N-(4-chlorophenyl)-1-(1-methylethyl)-

Database identifiers

CAS
63260-78-6
PubChem CID
3017394
DTXSID
DTXSID90979317
EC Number
264-053-3
Nikkaji
J327.047E

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
216

Physicochemical properties

Boiling point
369 · 369.0±32.0 °C(Predicted)
Density
1.115 · 1.115±0.06 g/cm3(Predicted)
pka
9.84 · 9.84±0.50(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-Isopropyl-4-piperidone6-BenzylaminopurinePotassium borohydride4-ChloroanilineIsopropylamine

Suppliers2 total

上海隆盛化工有限公司58099637 13585536065 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]

Related reactions

15 records
New reaction record
HRID 26763 reaction equation
HRID 26763As reactantuspto-grants-1979_04
HRID 26772 reaction equation
HRID 26772As reactantuspto-grants-1979_04
HRID 28154 reaction equation
HRID 28154As reactantuspto-grants-1980_09
HRID 191517 reaction equation
HRID 191517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 236768 reaction equation
HRID 236768As reactantuspto-grants-1979_06
HRID 1704432 reaction equation
HRID 1704432As reactantuspto-grants-1978_11
HRID 1704442 reaction equation
HRID 1704442As reactantuspto-grants-1978_11
HRID 1706753 reaction equation
HRID 1706753As reactantuspto-grants-1980_06
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Compound notes

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