ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate

C15H20ClNO2 — CID 20511819

IUPACethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2cccc(Cl)c2C)CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-3-19-14(18)15(7-9-17-10-8-15)12-5-4-6-13(16)11(12)2/h4-6,17H,3,7-10H2,1-2H3
InChIKeyKFLZJCKZAZUXBT-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.83
Rot. Bonds3

About ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate

ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate (PubChem CID 20511819) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
PubChem CID20511819
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2cccc(Cl)c2C)CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-3-19-14(18)15(7-9-17-10-8-15)12-5-4-6-13(16)11(12)2/h4-6,17H,3,7-10H2,1-2H3
InChIKeyKFLZJCKZAZUXBT-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Normeperidine
CID 32414
4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride (1:1)
CID 53444519
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
Ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 10405782
Ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 11267110
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
Ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
CID 52942607
(R)-methyl 2-(3-chlorophenyl)-2-((R)-piperidin-2-yl)acetate
CID 52946439
Ethyl 4-(4-iodophenyl)piperidine-4-carboxylate;hydrochloride
CID 52947497
Ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride
CID 71727766

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate (CID 20511819) is ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate is CCOC(=O)C1(c2cccc(Cl)c2C)CCNCC1.
What is the InChIKey of ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate?
The InChIKey is KFLZJCKZAZUXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(7-9-17-10-8-15)12-5-4-6-13(16)11(12)2/h4-6,17H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate?
ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 20511819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).