2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile

C21H25N3O — CID 95226937

IUPAC2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H25N3O/c22-15-19-10-5-13-23-20(19)24-14-6-12-21(16-24,17-25)11-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,13,25H,4,6,9,11-12,14,16-17H2/t21-/m1/s1
InChIKeyKYKLPLQEWFBGHY-OAQYLSRUSA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds6

About 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile

2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95226937) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95226937
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H25N3O/c22-15-19-10-5-13-23-20(19)24-14-6-12-21(16-24,17-25)11-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,13,25H,4,6,9,11-12,14,16-17H2/t21-/m1/s1
InChIKeyKYKLPLQEWFBGHY-OAQYLSRUSA-N
XLogP3.56
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 95226937) is 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KYKLPLQEWFBGHY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O/c22-15-19-10-5-13-23-20(19)24-14-6-12-21(16-24,17-25)11-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,13,25H,4,6,9,11-12,14,16-17H2/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95226937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).