1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride

C21H28ClNO — CID 44661232

IUPAC1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
SMILESCCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-3-10-18-20(23)15-19(16-11-6-4-7-12-16)22(2)21(18)17-13-8-5-9-14-17;/h4-9,11-14,18-21,23H,3,10,15H2,1-2H3;1H
InChIKeyAIWQNPCWPQLURQ-UHFFFAOYSA-N
MW345.91 g/mol
LogP5.00
Rot. Bonds4

About 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride

1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride (PubChem CID 44661232) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
PubChem CID44661232
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
SMILESCCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-3-10-18-20(23)15-19(16-11-6-4-7-12-16)22(2)21(18)17-13-8-5-9-14-17;/h4-9,11-14,18-21,23H,3,10,15H2,1-2H3;1H
InChIKeyAIWQNPCWPQLURQ-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.91
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 3611514
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(NE)-N-[(2S,3R,6R)-1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 98645698
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
(1S,3R,4R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-propylcyclopentane-1,3-diol
CID 129205006
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
CID 101004490
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride?
The IUPAC name of 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride (CID 44661232) is 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride is CCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1.Cl.
What is the InChIKey of 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride?
The InChIKey is AIWQNPCWPQLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-3-10-18-20(23)15-19(16-11-6-4-7-12-16)22(2)21(18)17-13-8-5-9-14-17;/h4-9,11-14,18-21,23H,3,10,15H2,1-2H3;1H.
What are the key properties of 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride?
1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 44661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).