[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate

C20H29NO2 — CID 46213709

IUPAC[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
SMILESCN1CCCC[C@@H]1COC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H29NO2/c1-21-15-9-6-12-18(21)16-23-19(22)20(13-7-3-8-14-20)17-10-4-2-5-11-17/h2,4-5,10-11,18H,3,6-9,12-16H2,1H3/t18-/m1/s1
InChIKeyDLRMHLDDSOGBCC-GOSISDBHSA-N
MW315.46 g/mol
LogP3.92
Rot. Bonds4

About [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate

[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate (PubChem CID 46213709) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
PubChem CID46213709
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
SMILESCN1CCCC[C@@H]1COC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H29NO2/c1-21-15-9-6-12-18(21)16-23-19(22)20(13-7-3-8-14-20)17-10-4-2-5-11-17/h2,4-5,10-11,18H,3,6-9,12-16H2,1H3/t18-/m1/s1
InChIKeyDLRMHLDDSOGBCC-GOSISDBHSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.92
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
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 46213521
[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213516
2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213458
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
CID 7211572
(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 5146689
[(8S)-4-methyl-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcycloheptane-1-carboxylate
CID 70807097

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate?
The IUPAC name of [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate (CID 46213709) is [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate?
The canonical SMILES for [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate is CN1CCCC[C@@H]1COC(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate?
The InChIKey is DLRMHLDDSOGBCC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29NO2/c1-21-15-9-6-12-18(21)16-23-19(22)20(13-7-3-8-14-20)17-10-4-2-5-11-17/h2,4-5,10-11,18H,3,6-9,12-16H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate?
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 46213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).