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

C27H29N3O — CID 10525695

IUPAC5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O/c28-22-26(23-10-3-1-4-11-23,24-12-5-2-6-13-24)15-9-19-30-20-16-27(31,17-21-30)25-14-7-8-18-29-25/h1-8,10-14,18,31H,9,15-17,19-21H2
InChIKeyNHNHEWYPECEYCE-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.66
Rot. Bonds7

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

5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (PubChem CID 10525695) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.

Molecular Properties

Compound Name5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
PubChem CID10525695
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O/c28-22-26(23-10-3-1-4-11-23,24-12-5-2-6-13-24)15-9-19-30-20-16-27(31,17-21-30)25-14-7-8-18-29-25/h1-8,10-14,18,31H,9,15-17,19-21H2
InChIKeyNHNHEWYPECEYCE-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The IUPAC name of 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile (CID 10525695) is 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile.
What is the SMILES notation for 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The canonical SMILES for 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
The InChIKey is NHNHEWYPECEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c28-22-26(23-10-3-1-4-11-23,24-12-5-2-6-13-24)15-9-19-30-20-16-27(31,17-21-30)25-14-7-8-18-29-25/h1-8,10-14,18,31H,9,15-17,19-21H2.
What are the key properties of 5-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile?
5-(4-hydroxy-4-pyridin-2-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-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile is sourced from PubChem (CID 10525695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).