ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate

C15H20ClNO2 — CID 764602

IUPACethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11H2,1H3
InChIKeyBRIQJSSTUJEWHC-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds4

About ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 764602) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
PubChem CID764602
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11H2,1H3
InChIKeyBRIQJSSTUJEWHC-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[[6-chloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxylate
CID 134084281
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
ethyl 4-[[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 46774567
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate (CID 764602) is ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is BRIQJSSTUJEWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11H2,1H3.
What are the key properties of ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 764602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).