6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile

C21H25N3O — CID 56755220

IUPAC6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C21H25N3O/c22-16-19-9-4-10-20(23-19)24-14-12-21(17-25,13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,25H,5,8,11-15,17H2
InChIKeyFCODHYPZDINLOC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds6

About 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56755220) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56755220
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C21H25N3O/c22-16-19-9-4-10-20(23-19)24-14-12-21(17-25,13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,25H,5,8,11-15,17H2
InChIKeyFCODHYPZDINLOC-UHFFFAOYSA-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 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 56755220) is 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(CO)(CCCc3ccccc3)CC2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FCODHYPZDINLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c22-16-19-9-4-10-20(23-19)24-14-12-21(17-25,13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,25H,5,8,11-15,17H2.
What are the key properties of 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-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 6-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56755220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).