[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

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Related Compounds

1-[4-[4-[4-[2,6-Bis[4-(hydroxymethyl)phenyl]pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375928
1-[4-[4-[4-[2-[4-(2-Hydroxyethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798420
1-[4-[4-[4-[2-[4-(Hydroxymethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798429
4-N-cyclopropyl-6-[hydroxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 132185846
6-[hydroxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186095
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 54580229
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide
CID 66801358
6-[(4-Fluoro-phenyl)-hydroxy-methyl]-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105700
US10239838, Example 18
CID 121413976
US10239838, Example 23
CID 121413995
(3Z,6Z)-3-benzylidene-6-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]piperazine-2,5-dione
CID 156020795

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).