1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one

C22H28N2O — CID 718736

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-22(2,3)21(25)24-16-14-23(15-17-24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyKWPBNLGNSFIDPC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 718736) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID718736
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-22(2,3)21(25)24-16-14-23(15-17-24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyKWPBNLGNSFIDPC-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one (CID 718736) is 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is KWPBNLGNSFIDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-22(2,3)21(25)24-16-14-23(15-17-24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 718736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).