[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol

C26H36N2O — CID 42532165

IUPAC[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol
SMILESCc1cccc(N2CCC(N3CCC(CO)(Cc4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C26H36N2O/c1-21-7-6-10-25(22(21)2)28-15-11-24(12-16-28)27-17-13-26(20-29,14-18-27)19-23-8-4-3-5-9-23/h3-10,24,29H,11-20H2,1-2H3
InChIKeyQWLZXUMSHQABDE-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.59
Rot. Bonds5

About [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol

[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol (PubChem CID 42532165) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol
PubChem CID42532165
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol
SMILESCc1cccc(N2CCC(N3CCC(CO)(Cc4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C26H36N2O/c1-21-7-6-10-25(22(21)2)28-15-11-24(12-16-28)27-17-13-26(20-29,14-18-27)19-23-8-4-3-5-9-23/h3-10,24,29H,11-20H2,1-2H3
InChIKeyQWLZXUMSHQABDE-UHFFFAOYSA-N
XLogP4.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-Benzyl-1'-(3,4-difluorophenyl)-1,4'-bipiperidin-4-yl]methanol
CID 16188907
2-{1-Cyclohexyl-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16188727
[4-Benzyl-1'-(2-fluorophenyl)-1,4'-bipiperidin-4-yl]methanol
CID 16190275
US11673883, Example 30
CID 132166352
US11673883, Example 35
CID 132166400
US11673883, Example 43
CID 132166478
US11673883, Example 26
CID 132166559
US11673883, Example 34
CID 132185595
(1R*,3S*)-3-ethoxy-7-[1-(2-methylphenyl)-4-piperidinyl]-7-azaspiro[3.5]nonan-1-ol
CID 72858717
4-Tert-butyl-1-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]piperidin-3-ol
CID 75450487
1-(4-Fluorophenyl)-4-[4-methyl-3-[2-methyl-3-[methyl(propyl)amino]phenyl]piperidin-1-yl]butan-1-ol
CID 170214474
4-[(2R,7S)-13,18-dimethyl-4,13-diazatricyclo[12.3.1.02,7]octadeca-1(18),14,16-trien-4-yl]-1-(4-fluorophenyl)butan-1-ol
CID 170214479

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol (CID 42532165) is [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol is Cc1cccc(N2CCC(N3CCC(CO)(Cc4ccccc4)CC3)CC2)c1C.
What is the InChIKey of [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is QWLZXUMSHQABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-21-7-6-10-25(22(21)2)28-15-11-24(12-16-28)27-17-13-26(20-29,14-18-27)19-23-8-4-3-5-9-23/h3-10,24,29H,11-20H2,1-2H3.
What are the key properties of [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol?
[4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 392.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 42532165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).