1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol

C24H24BrNO — CID 10093682

IUPAC1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24BrNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
InChIKeyFIHWNAAGEWTLGW-UHFFFAOYSA-N
MW422.37 g/mol
LogP5.52
Rot. Bonds4

About 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol

1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol (PubChem CID 10093682) has the molecular formula C24H24BrNO and a molecular weight of 422.37 g/mol. Its IUPAC name is 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol
PubChem CID10093682
Molecular FormulaC24H24BrNO
Molecular Weight422.37 g/mol
Exact Mass421.10
IUPAC Name1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24BrNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
InChIKeyFIHWNAAGEWTLGW-UHFFFAOYSA-N
XLogP5.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol?
The IUPAC name of 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol (CID 10093682) is 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol.
What is the SMILES notation for 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol?
The canonical SMILES for 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol is OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol?
The InChIKey is FIHWNAAGEWTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2.
What are the key properties of 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol?
1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol has a molecular weight of 422.37 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol is sourced from PubChem (CID 10093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).