4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol

C22H30N2O — CID 4853

IUPAC4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3
InChIKeyAPUDBKTWDCXQJA-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.36
Rot. Bonds6

About 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol

4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol (PubChem CID 4853) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol
PubChem CID4853
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol
SMILESCC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3
InChIKeyAPUDBKTWDCXQJA-UHFFFAOYSA-N
XLogP4.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol
CID 97356694
4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
CID 14810506
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
CID 14810520
5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
CID 92853218
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpropan-1-ol
CID 92853219
(E,1S)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbut-2-en-1-ol
CID 129374512
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
CID 57320094
[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylbutyl] sulfamate
CID 54561377
(1S)-2-nitro-1-phenyl-1-pyridin-2-ylethanol
CID 139167628
(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate
CID 70340569
2-(2,6-dimethylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82216604

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol (CID 4853) is 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol is CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The InChIKey is APUDBKTWDCXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol?
4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 4853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).