(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone

C24H30N2O — CID 994313

IUPAC(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O/c27-24(22-14-8-3-9-15-22)26-18-16-25(17-19-26)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2
InChIKeyOZIJATBNGVKZLU-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.50
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone

(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone (PubChem CID 994313) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone
PubChem CID994313
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O/c27-24(22-14-8-3-9-15-22)26-18-16-25(17-19-26)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2
InChIKeyOZIJATBNGVKZLU-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone (CID 994313) is (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone?
The InChIKey is OZIJATBNGVKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-24(22-14-8-3-9-15-22)26-18-16-25(17-19-26)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone?
(4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone has a molecular weight of 362.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-cyclohexylmethanone is sourced from PubChem (CID 994313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).