1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride

C14H21ClN2O — CID 119260845

IUPAC1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCc2ccccc2)CCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-12-11-16(10-9-15-12)14(17)8-7-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H
InChIKeyDIGJAPPQFZMWLO-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.86
Rot. Bonds3

About 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride

1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119260845) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119260845
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCc2ccccc2)CCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-12-11-16(10-9-15-12)14(17)8-7-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H
InChIKeyDIGJAPPQFZMWLO-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
1-(3-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 119577753
3-(3-bromophenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 124670153
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
1-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
N,N-diethyl-4-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119577479
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119576915
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580262
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119260845) is 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride is CC1CN(C(=O)CCc2ccccc2)CCN1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is DIGJAPPQFZMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-12-11-16(10-9-15-12)14(17)8-7-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride?
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119260845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).