1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile

C19H24N2O2 — CID 91760735

IUPAC1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H24N2O2/c20-14-19(16-6-2-1-3-7-16)9-11-21(12-10-19)18(23)15-5-4-8-17(22)13-15/h1-3,6-7,15,17,22H,4-5,8-13H2/t15-,17+/m0/s1
InChIKeyQWEVSHRHEGWBPU-DOTOQJQBSA-N
MW312.41 g/mol
LogP2.62
Rot. Bonds2

About 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile

1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 91760735) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID91760735
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H24N2O2/c20-14-19(16-6-2-1-3-7-16)9-11-21(12-10-19)18(23)15-5-4-8-17(22)13-15/h1-3,6-7,15,17,22H,4-5,8-13H2/t15-,17+/m0/s1
InChIKeyQWEVSHRHEGWBPU-DOTOQJQBSA-N
XLogP2.62
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile (CID 91760735) is 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1.
What is the InChIKey of 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is QWEVSHRHEGWBPU-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-14-19(16-6-2-1-3-7-16)9-11-21(12-10-19)18(23)15-5-4-8-17(22)13-15/h1-3,6-7,15,17,22H,4-5,8-13H2/t15-,17+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile?
1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 312.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-hydroxycyclohexanecarbonyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 91760735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).