5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol

C24H28N2O — CID 160592204

IUPAC5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CC(CN2CCNCC2)(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H28N2O/c27-22-12-7-13-24(18-22,19-26-16-14-25-15-17-26)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,25,27H,14-19H2
InChIKeyRDEGFWMTZFHNKQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.11
Rot. Bonds5

About 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol

5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 160592204) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
PubChem CID160592204
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CC(CN2CCNCC2)(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H28N2O/c27-22-12-7-13-24(18-22,19-26-16-14-25-15-17-26)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,25,27H,14-19H2
InChIKeyRDEGFWMTZFHNKQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]piperazine
CID 22152315
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
1-[3-[4-[1-adamantyl(phenyl)methyl]phenyl]propyl]piperazine
CID 71459493
phenyl(piperazin-1-yl)methanol
CID 23037926
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
piperazin-1-ylmethyl 2-phenylpropanoate
CID 90094069
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695

Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol (CID 160592204) is 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol is OC1=CC=CC(CN2CCNCC2)(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is RDEGFWMTZFHNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c27-22-12-7-13-24(18-22,19-26-16-14-25-15-17-26)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23,25,27H,14-19H2.
What are the key properties of 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 360.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-5-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 160592204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).