[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C20H25N3O2 — CID 156601775

IUPAC[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)cn1
InChIInChI=1S/C20H25N3O2/c1-15-9-10-16(13-21-15)19(24)23-12-11-20(25,18(14-23)22(2)3)17-7-5-4-6-8-17/h4-10,13,18,25H,11-12,14H2,1-3H3
InChIKeyLTEHPKAJFQOQLR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.05
Rot. Bonds3

About [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 156601775) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID156601775
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)cn1
InChIInChI=1S/C20H25N3O2/c1-15-9-10-16(13-21-15)19(24)23-12-11-20(25,18(14-23)22(2)3)17-7-5-4-6-8-17/h4-10,13,18,25H,11-12,14H2,1-3H3
InChIKeyLTEHPKAJFQOQLR-UHFFFAOYSA-N
XLogP2.05
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Soticlestat
CID 73437845
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10002913
[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 10836338
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-2-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019564
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 57889979
6-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)nicotinamide
CID 58109674
2-[[[(3R)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 91938043

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 156601775) is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)cn1.
What is the InChIKey of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is LTEHPKAJFQOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-9-10-16(13-21-15)19(24)23-12-11-20(25,18(14-23)22(2)3)17-7-5-4-6-8-17/h4-10,13,18,25H,11-12,14H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 156601775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).