[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

C21H27N3O2 — CID 70753827

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cccc(CO)n2)cc1
InChIInChI=1S/C21H27N3O2/c1-23(2)14-16-9-11-17(12-10-16)20-8-3-4-13-24(20)21(26)19-7-5-6-18(15-25)22-19/h5-7,9-12,20,25H,3-4,8,13-15H2,1-2H3
InChIKeyLPCPZXSHLJFNHT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.00
Rot. Bonds5

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (PubChem CID 70753827) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
PubChem CID70753827
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cccc(CO)n2)cc1
InChIInChI=1S/C21H27N3O2/c1-23(2)14-16-9-11-17(12-10-16)20-8-3-4-13-24(20)21(26)19-7-5-6-18(15-25)22-19/h5-7,9-12,20,25H,3-4,8,13-15H2,1-2H3
InChIKeyLPCPZXSHLJFNHT-UHFFFAOYSA-N
XLogP3.00
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (CID 70753827) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2cccc(CO)n2)cc1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The InChIKey is LPCPZXSHLJFNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)14-16-9-11-17(12-10-16)20-8-3-4-13-24(20)21(26)19-7-5-6-18(15-25)22-19/h5-7,9-12,20,25H,3-4,8,13-15H2,1-2H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 70753827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).