[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid

C19H28N2O2 — CID 141194204

IUPAC[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c22-19(23)20-18-9-5-4-8-17(18)14-21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2,(H,22,23)/t17-,18+/m0/s1
InChIKeyZGMBAKHCWWTBKA-ZWKOTPCHSA-N
MW316.44 g/mol
LogP3.69
Rot. Bonds4

About [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid

[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid (PubChem CID 141194204) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
PubChem CID141194204
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c22-19(23)20-18-9-5-4-8-17(18)14-21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2,(H,22,23)/t17-,18+/m0/s1
InChIKeyZGMBAKHCWWTBKA-ZWKOTPCHSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615234
[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
CID 174592824
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340181
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688831
2-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]acetamide
CID 74340123
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 46951664

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid?
The IUPAC name of [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid (CID 141194204) is [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid is O=C(O)N[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid?
The InChIKey is ZGMBAKHCWWTBKA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(23)20-18-9-5-4-8-17(18)14-21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid?
[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid has a molecular weight of 316.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 141194204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).