ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate

C16H22ClNO2 — CID 126667889

IUPACethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C16H22ClNO2/c1-3-20-15(19)16(2)9-8-14(18-11-16)10-12-4-6-13(17)7-5-12/h4-7,14,18H,3,8-11H2,1-2H3/t14-,16?/m1/s1
InChIKeyRHSRGFDIALOWKJ-IURRXHLWSA-N
MW295.81 g/mol
LogP3.20
Rot. Bonds4

About ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate

ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate (PubChem CID 126667889) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
PubChem CID126667889
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C16H22ClNO2/c1-3-20-15(19)16(2)9-8-14(18-11-16)10-12-4-6-13(17)7-5-12/h4-7,14,18H,3,8-11H2,1-2H3/t14-,16?/m1/s1
InChIKeyRHSRGFDIALOWKJ-IURRXHLWSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-tert-butylsulfinyl-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
CID 126652372
(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
CID 155765954
[(5S)-5-[(4-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 126642308
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
diethyl (3S,5S)-3-(4-chlorophenyl)-5-methylpyrrolidine-2,2-dicarboxylate
CID 132596186
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
ethyl 4-(benzylamino)-1-methylcyclohexane-1-carboxylate
CID 118993829
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate
CID 66561058

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate (CID 126667889) is ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate is CCOC(=O)C1(C)CC[C@H](Cc2ccc(Cl)cc2)NC1.
What is the InChIKey of ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate?
The InChIKey is RHSRGFDIALOWKJ-IURRXHLWSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-20-15(19)16(2)9-8-14(18-11-16)10-12-4-6-13(17)7-5-12/h4-7,14,18H,3,8-11H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate?
ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate has a molecular weight of 295.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 126667889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).