5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

C27H29N3O — CID 10645313

IUPAC5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O/c28-22-26(23-9-3-1-4-10-23,24-11-5-2-6-12-24)14-8-18-30-19-15-27(31,16-20-30)25-13-7-17-29-21-25/h1-7,9-13,17,21,31H,8,14-16,18-20H2
InChIKeyTWGVPKFEWVMONC-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.66
Rot. Bonds7

About 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (PubChem CID 10645313) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.

Molecular Properties

Compound Name5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
PubChem CID10645313
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O/c28-22-26(23-9-3-1-4-10-23,24-11-5-2-6-12-24)14-8-18-30-19-15-27(31,16-20-30)25-13-7-17-29-21-25/h1-7,9-13,17,21,31H,8,14-16,18-20H2
InChIKeyTWGVPKFEWVMONC-UHFFFAOYSA-N
XLogP4.66
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SR2211
CID 51035449
Metyrapol
CID 161210
Cyprolidol
CID 199758
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
Benzenemethanol, alpha-phenyl-alpha-(2-(4-pyridinyl)cyclopropyl)-, hydrochloride (1:1)
CID 66260
3-Pyridinemethanol, alpha-phenyl-alpha-(3-(1-pyrrolidinyl)-1-propynyl)-
CID 200481
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The IUPAC name of 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (CID 10645313) is 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.
What is the SMILES notation for 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The canonical SMILES for 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The InChIKey is TWGVPKFEWVMONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c28-22-26(23-9-3-1-4-10-23,24-11-5-2-6-12-24)14-8-18-30-19-15-27(31,16-20-30)25-13-7-17-29-21-25/h1-7,9-13,17,21,31H,8,14-16,18-20H2.
What are the key properties of 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile has a molecular weight of 411.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is sourced from PubChem (CID 10645313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).