4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol

C28H33NO — CID 19937449

IUPAC4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
SMILESOC(CCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H33NO/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-28,30H,10,17-22H2
InChIKeyMSFOVUBRULIRHQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.04
Rot. Bonds8

About 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol

4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol (PubChem CID 19937449) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
PubChem CID19937449
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
SMILESOC(CCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H33NO/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-28,30H,10,17-22H2
InChIKeyMSFOVUBRULIRHQ-UHFFFAOYSA-N
XLogP6.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol (CID 19937449) is 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol is OC(CCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol?
The InChIKey is MSFOVUBRULIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-28,30H,10,17-22H2.
What are the key properties of 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol?
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol has a molecular weight of 399.58 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol is sourced from PubChem (CID 19937449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).