(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol

C27H31NO — CID 14698737

IUPAC(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-21-8-12-24(13-9-21)27(29,25-14-10-22(2)11-15-25)26-16-18-28(19-17-26)20-23-6-4-3-5-7-23/h3-15,26,29H,16-20H2,1-2H3
InChIKeyJREWOCABXQGOLN-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.45
Rot. Bonds5

About (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol

(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol (PubChem CID 14698737) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
PubChem CID14698737
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-21-8-12-24(13-9-21)27(29,25-14-10-22(2)11-15-25)26-16-18-28(19-17-26)20-23-6-4-3-5-7-23/h3-15,26,29H,16-20H2,1-2H3
InChIKeyJREWOCABXQGOLN-UHFFFAOYSA-N
XLogP5.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670
(4-methylphenyl)-phenyl-(1-prop-2-enylpiperidin-4-yl)methanol;thionyl dichloride
CID 91476293
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
(1-benzylpiperidin-4-yl)-diphenylmethanamine
CID 154244173
diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
CID 163328691
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol?
The IUPAC name of (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol (CID 14698737) is (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol?
The canonical SMILES for (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol is Cc1ccc(C(O)(c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol?
The InChIKey is JREWOCABXQGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-21-8-12-24(13-9-21)27(29,25-14-10-22(2)11-15-25)26-16-18-28(19-17-26)20-23-6-4-3-5-7-23/h3-15,26,29H,16-20H2,1-2H3.
What are the key properties of (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol?
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol has a molecular weight of 385.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol is sourced from PubChem (CID 14698737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).