2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride

C19H25Cl2N3O — CID 119826687

IUPAC2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O.2ClH/c20-15-18(23)21-11-13-22(14-12-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;;/h1-10,19H,11-15,20H2;2*1H
InChIKeyDXBIUGPJEVMHCV-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.72
Rot. Bonds4

About 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride

2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119826687) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119826687
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O.2ClH/c20-15-18(23)21-11-13-22(14-12-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;;/h1-10,19H,11-15,20H2;2*1H
InChIKeyDXBIUGPJEVMHCV-UHFFFAOYSA-N
XLogP2.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
CID 70074590
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride (CID 119826687) is 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is DXBIUGPJEVMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c20-15-18(23)21-11-13-22(14-12-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;;/h1-10,19H,11-15,20H2;2*1H.
What are the key properties of 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride?
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119826687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).