2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile

C19H20ClN3O — CID 56751842

IUPAC2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(CO)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O/c20-17-6-1-4-15(10-17)11-19(14-24)7-3-9-23(13-19)18-16(12-21)5-2-8-22-18/h1-2,4-6,8,10,24H,3,7,9,11,13-14H2
InChIKeyDZYWGLQVADDMPZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.43
Rot. Bonds4

About 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile

2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56751842) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56751842
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(CO)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O/c20-17-6-1-4-15(10-17)11-19(14-24)7-3-9-23(13-19)18-16(12-21)5-2-8-22-18/h1-2,4-6,8,10,24H,3,7,9,11,13-14H2
InChIKeyDZYWGLQVADDMPZ-UHFFFAOYSA-N
XLogP3.43
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 56751842) is 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC(CO)(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DZYWGLQVADDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-6-1-4-15(10-17)11-19(14-24)7-3-9-23(13-19)18-16(12-21)5-2-8-22-18/h1-2,4-6,8,10,24H,3,7,9,11,13-14H2.
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 341.84 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56751842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).