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

C29H34FNO — CID 126669285

IUPAC[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C29H34FNO/c1-23(24-14-16-28(30)17-15-24)9-8-20-31-21-18-27(19-22-31)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-17,23,27,32H,8-9,18-22H2,1H3
InChIKeyGQWZPUNTFNTLAL-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.36
Rot. Bonds8

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

[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 126669285) has the molecular formula C29H34FNO and a molecular weight of 431.60 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
PubChem CID126669285
Molecular FormulaC29H34FNO
Molecular Weight431.60 g/mol
Exact Mass431.26
IUPAC Name[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C29H34FNO/c1-23(24-14-16-28(30)17-15-24)9-8-20-31-21-18-27(19-22-31)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-17,23,27,32H,8-9,18-22H2,1H3
InChIKeyGQWZPUNTFNTLAL-UHFFFAOYSA-N
XLogP6.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
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-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
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-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol (CID 126669285) is [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol is CC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is GQWZPUNTFNTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FNO/c1-23(24-14-16-28(30)17-15-24)9-8-20-31-21-18-27(19-22-31)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-17,23,27,32H,8-9,18-22H2,1H3.
What are the key properties of [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol?
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 431.60 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 126669285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).