[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C19H26ClNO2 — CID 46213521

IUPAC[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCCC[C@H]1COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H26ClNO2/c1-21-13-5-2-6-17(21)14-23-18(22)19(11-3-4-12-19)15-7-9-16(20)10-8-15/h7-10,17H,2-6,11-14H2,1H3/t17-/m0/s1
InChIKeyAOPGXVXUWREZBW-KRWDZBQOSA-N
MW335.88 g/mol
LogP4.18
Rot. Bonds4

About [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 46213521) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID46213521
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCCC[C@H]1COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H26ClNO2/c1-21-13-5-2-6-17(21)14-23-18(22)19(11-3-4-12-19)15-7-9-16(20)10-8-15/h7-10,17H,2-6,11-14H2,1H3/t17-/m0/s1
InChIKeyAOPGXVXUWREZBW-KRWDZBQOSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclohexane-1-carboxylate
CID 46213642
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213516
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213458
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642134
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3344195
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7041004
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7392423

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 46213521) is [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CN1CCCC[C@H]1COC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is AOPGXVXUWREZBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-21-13-5-2-6-17(21)14-23-18(22)19(11-3-4-12-19)15-7-9-16(20)10-8-15/h7-10,17H,2-6,11-14H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 335.88 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46213521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).