[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol

C30H37NO — CID 126669110

IUPAC[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(C(C)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H37NO/c1-24-15-17-26(18-16-24)25(2)10-9-21-31-22-19-29(20-23-31)30(32,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-18,25,29,32H,9-10,19-23H2,1-2H3
InChIKeyJQOANTRUUYQRFV-UHFFFAOYSA-N
MW427.63 g/mol
LogP6.53
Rot. Bonds8

About [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol

[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 126669110) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
PubChem CID126669110
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC Name[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(C(C)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H37NO/c1-24-15-17-26(18-16-24)25(2)10-9-21-31-22-19-29(20-23-31)30(32,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-18,25,29,32H,9-10,19-23H2,1-2H3
InChIKeyJQOANTRUUYQRFV-UHFFFAOYSA-N
XLogP6.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol 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-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 141172906
3-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-3-methylbut-1-en-2-ol
CID 89189674
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;yttrium
CID 169429870
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-ol;4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-one
CID 157213890
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
CID 141172908
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
2-hydroxypropyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 175674529

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol (CID 126669110) is [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol is Cc1ccc(C(C)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is JQOANTRUUYQRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO/c1-24-15-17-26(18-16-24)25(2)10-9-21-31-22-19-29(20-23-31)30(32,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-18,25,29,32H,9-10,19-23H2,1-2H3.
What are the key properties of [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 427.63 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 126669110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).