[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate

C23H36N2O2 — CID 174592824

IUPAC[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1)OC(N)=O
InChIInChI=1S/C23H36N2O2/c1-23(2,27-22(24)26)16-20-10-6-7-11-21(20)17-25-14-12-19(13-15-25)18-8-4-3-5-9-18/h3-5,8-9,19-21H,6-7,10-17H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1
InChIKeyZZNUWONVHOKTTC-SFTDATJTSA-N
MW372.55 g/mol
LogP4.94
Rot. Bonds6

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

[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate (PubChem CID 174592824) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
PubChem CID174592824
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1)OC(N)=O
InChIInChI=1S/C23H36N2O2/c1-23(2,27-22(24)26)16-20-10-6-7-11-21(20)17-25-14-12-19(13-15-25)18-8-4-3-5-9-18/h3-5,8-9,19-21H,6-7,10-17H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1
InChIKeyZZNUWONVHOKTTC-SFTDATJTSA-N
XLogP4.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 141194204
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
cyclopropylbenzene;ethane;phenyl carbamate
CID 166076294
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
CID 71325657
ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
CID 784294

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate (CID 174592824) is [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate is CC(C)(C[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1)OC(N)=O.
What is the InChIKey of [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate?
The InChIKey is ZZNUWONVHOKTTC-SFTDATJTSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-23(2,27-22(24)26)16-20-10-6-7-11-21(20)17-25-14-12-19(13-15-25)18-8-4-3-5-9-18/h3-5,8-9,19-21H,6-7,10-17H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1.
What are the key properties of [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate?
[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate has a molecular weight of 372.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate is sourced from PubChem (CID 174592824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).