1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol

C20H25NO — CID 19095619

IUPAC1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(Cc3ccccc3)CC2C)c1
InChIInChI=1S/C20H25NO/c1-16-7-6-10-19(13-16)20(22)11-12-21(14-17(20)2)15-18-8-4-3-5-9-18/h3-10,13,17,22H,11-12,14-15H2,1-2H3
InChIKeySSGDWBIUMLAHAP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.72
Rot. Bonds3

About 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol

1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 19095619) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
PubChem CID19095619
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(Cc3ccccc3)CC2C)c1
InChIInChI=1S/C20H25NO/c1-16-7-6-10-19(13-16)20(22)11-12-21(14-17(20)2)15-18-8-4-3-5-9-18/h3-10,13,17,22H,11-12,14-15H2,1-2H3
InChIKeySSGDWBIUMLAHAP-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
CID 141444113
1-benzyl-4-(3-fluoro-4-methylphenyl)-4-hydroxypiperidine-3-carboxylic acid
CID 90910968
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
(3S,4R)-1-benzyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxylic acid
CID 58083399
3-benzyl-4-[3,4-dimethyl-4-(3-methylphenyl)piperidin-1-yl]butan-2-one
CID 21040159
methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol (CID 19095619) is 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol is Cc1cccc(C2(O)CCN(Cc3ccccc3)CC2C)c1.
What is the InChIKey of 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is SSGDWBIUMLAHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16-7-6-10-19(13-16)20(22)11-12-21(14-17(20)2)15-18-8-4-3-5-9-18/h3-10,13,17,22H,11-12,14-15H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol?
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 295.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 19095619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).