(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate

C14H15ClN2O2 — CID 174832128

IUPAC(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCc2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2/c15-13-4-2-1-3-12(13)10-19-14(18)17-7-5-11(9-16)6-8-17/h1-4,11H,5-8,10H2
InChIKeyYISDYMCYBSMNGT-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.21
Rot. Bonds2

About (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate

(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate (PubChem CID 174832128) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
PubChem CID174832128
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCc2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2/c15-13-4-2-1-3-12(13)10-19-14(18)17-7-5-11(9-16)6-8-17/h1-4,11H,5-8,10H2
InChIKeyYISDYMCYBSMNGT-UHFFFAOYSA-N
XLogP3.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
CID 110409909
benzyl 4-ethynylpiperidine-1-carboxylate
CID 126797046
1-[4-(2-chlorophenyl)-4-oxobutanoyl]piperidine-4-carbonitrile
CID 110634386
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
CID 46991082
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525379
[1-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl piperazine-1-carboxylate
CID 159034296

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate (CID 174832128) is (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate is N#CC1CCN(C(=O)OCc2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate?
The InChIKey is YISDYMCYBSMNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-13-4-2-1-3-12(13)10-19-14(18)17-7-5-11(9-16)6-8-17/h1-4,11H,5-8,10H2.
What are the key properties of (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate?
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 174832128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).