ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate

C20H28ClNO2 — CID 25384964

IUPACethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28ClNO2/c1-2-24-19(23)20(15-16-7-9-17(21)10-8-16)11-13-22(14-12-20)18-5-3-4-6-18/h7-10,18H,2-6,11-15H2,1H3
InChIKeySOCYVFOTOXULPR-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.47
Rot. Bonds5

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

ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate (PubChem CID 25384964) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate
PubChem CID25384964
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Nameethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28ClNO2/c1-2-24-19(23)20(15-16-7-9-17(21)10-8-16)11-13-22(14-12-20)18-5-3-4-6-18/h7-10,18H,2-6,11-15H2,1H3
InChIKeySOCYVFOTOXULPR-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10355644
Methyl (3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate
CID 12972671
3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid isopropyl ester
CID 44372825
Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10015831
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid methyl ester
CID 10333222
ethyl 1-N-methyl-4-(3,4-dichlorophenyl)piperidine-4-carboxylate
CID 10403452
4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxylic acid ethyl ester
CID 11267111
(3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
CID 12972672
1-Methylpiperidin-4-YL 2-(4-chlorophenyl)acetate hydrochloride
CID 2948685
[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-acetic acid 3-phenyl-propyl ester
CID 10340085
Ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 10405782
Ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 11267110

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate (CID 25384964) is ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate is CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCCC2)CC1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate?
The InChIKey is SOCYVFOTOXULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2/c1-2-24-19(23)20(15-16-7-9-17(21)10-8-16)11-13-22(14-12-20)18-5-3-4-6-18/h7-10,18H,2-6,11-15H2,1H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate?
ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate has a molecular weight of 349.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclopentylpiperidine-4-carboxylate is sourced from PubChem (CID 25384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).