Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate

HCID 424752
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Basic information

CAS
1463-52-1
Standard SMILES
CCOC(=O)C(C#N)=C1CCN(Cc2ccccc2)CC1
InChIKey
HSTSIRUENGPGSB-UHFFFAOYSA-N
Molecular formula
C17H20N2O2
Average molar mass
284.35 g/mol
Monoisotopic mass
284.15247788

Names & identifiers

Preferred name
Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate
IUPAC
ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate
English name
Ethyl 2-(1-benzyl-4-piperidinylidene)-2-cyanoacetate
Molecular formula
C17H20N2O2
Molecular weight
284.35

Names & synonyms

1463-52-1ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetateethyl 2-(1-benzyl-4-piperidinylidene)-2-cyanoacetateMFCD01569592ethyl 2-(1-benzyl-4-piperidylidene)-2-cyano-acetate(1-benzyl-piperidin-4-ylidene)-cyano-acetic acid ethyl esterMaybridge3_000241Oprea1_863755ethyl (1-benzylpiperidin-4-ylidene)(cyano)acetateMLS001181493SCHEMBL989455CHEMBL1500297
Show more names
Ethyl 2-cyano-2-[1-(phenylmethyl)-4-piperidinylidene]acetateAcetic acid, 2-cyano-2-[1-(phenylMethyl)-4-piperidinylidene]-, ethyl ester
DTXSID60329885HSTSIRUENGPGSB-UHFFFAOYSA-NHMS1431K21HMS2886G15CCG-52385AKOS005069803IDI1_011628SMR000567144

Database identifiers

CAS
1463-52-1
PubChem CID
424752
DTXSID
DTXSID60329885
ChEMBL
CHEMBL1500297
Nikkaji
J2.636.888J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
53.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Physicochemical properties

Melting point
64 · 64-67°C
Boiling point
430.4 · 430.4±35.0 °C(Predicted)
Density
1.148 · 1.148±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
6.74 · 6.74±0.20(Predicted)
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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