4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile

C20H22N2O — CID 576538

IUPAC4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile
SMILESCC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(O)C#N
InChIInChI=1S/C20H22N2O/c1-14-18(16-9-5-3-6-10-16)22-19(15(2)20(14,23)13-21)17-11-7-4-8-12-17/h3-12,14-15,18-19,22-23H,1-2H3
InChIKeyHTJJHIYXGFLKJV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.60
Rot. Bonds2

About 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile

4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile (PubChem CID 576538) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile
PubChem CID576538
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile
SMILESCC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(O)C#N
InChIInChI=1S/C20H22N2O/c1-14-18(16-9-5-3-6-10-16)22-19(15(2)20(14,23)13-21)17-11-7-4-8-12-17/h3-12,14-15,18-19,22-23H,1-2H3
InChIKeyHTJJHIYXGFLKJV-UHFFFAOYSA-N
XLogP3.60
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

1-Benzhydryl-4-butylpiperidin-4-ol
CID 22970051
1-Benzhydryl-4-cyclohexylpiperidin-4-ol
CID 10043439
1-Benzhydryl-4-isopropylpiperidin-4-ol
CID 44430025
1-Benzhydryl-4-hexylpiperidin-4-ol
CID 44430026
3,4,5-Trimethyl-2,6-diphenylpiperidin-4-ol
CID 3142092
1-Phenyldecahydroisoquinolin-4a-ol
CID 2831033
2-(4-Hydroxy-4-phenylpiperidin-1-yl)-2-phenylacetonitrile
CID 44426819
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 5156378
1-Propanol, 3-(ethylamino)-1,1,3-triphenyl-
CID 202880
4-Piperidinol, 2,3,6-triphenyl-
CID 3079038
2-Piperidineethanol, a-methyl-a,b-diphenyl-
CID 236210
1,4-Dimethyl-2,6-diphenylpiperidin-4-ol
CID 339054

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile?
The IUPAC name of 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile (CID 576538) is 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile is CC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(O)C#N.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile?
The InChIKey is HTJJHIYXGFLKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-18(16-9-5-3-6-10-16)22-19(15(2)20(14,23)13-21)17-11-7-4-8-12-17/h3-12,14-15,18-19,22-23H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile?
4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-2,6-diphenylpiperidine-4-carbonitrile is sourced from PubChem (CID 576538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).