1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride

C17H27ClN2O2 — CID 119579077

IUPAC1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCOc1ccc(CCC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-12-21-16-7-4-15(5-8-16)6-9-17(20)19-11-10-18-14(2)13-19;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H
InChIKeyAVWVTTGSTATXEO-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.65
Rot. Bonds6

About 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride

1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride (PubChem CID 119579077) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
PubChem CID119579077
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCOc1ccc(CCC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-12-21-16-7-4-15(5-8-16)6-9-17(20)19-11-10-18-14(2)13-19;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H
InChIKeyAVWVTTGSTATXEO-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-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-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
1-(3-methylpiperazin-1-yl)-4-(4-methylsulfonylphenoxy)butan-1-one;hydrochloride
CID 119580785
N,N-diethyl-4-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119577479
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
1-(1-oxo-1,4-thiazinan-4-yl)-3-(4-propoxyphenyl)propan-1-one
CID 71994883
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
4-(4-chloro-3-methylphenoxy)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577495

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride (CID 119579077) is 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride is CCCOc1ccc(CCC(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is AVWVTTGSTATXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-3-12-21-16-7-4-15(5-8-16)6-9-17(20)19-11-10-18-14(2)13-19;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride?
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 119579077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).