1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride

C19H29ClN2O3 — CID 71783123

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCN(CC(O)C3CC3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-24-17-7-2-15(3-8-17)4-9-19(23)21-12-10-20(11-13-21)14-18(22)16-5-6-16;/h2-3,7-8,16,18,22H,4-6,9-14H2,1H3;1H
InChIKeySTMXXVQTZQGTHH-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.96
Rot. Bonds7

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride (PubChem CID 71783123) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
PubChem CID71783123
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCN(CC(O)C3CC3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-24-17-7-2-15(3-8-17)4-9-19(23)21-12-10-20(11-13-21)14-18(22)16-5-6-16;/h2-3,7-8,16,18,22H,4-6,9-14H2,1H3;1H
InChIKeySTMXXVQTZQGTHH-UHFFFAOYSA-N
XLogP1.96
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)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-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 71783108
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90603435
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride (CID 71783123) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride is COc1ccc(CCC(=O)N2CCN(CC(O)C3CC3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is STMXXVQTZQGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-24-17-7-2-15(3-8-17)4-9-19(23)21-12-10-20(11-13-21)14-18(22)16-5-6-16;/h2-3,7-8,16,18,22H,4-6,9-14H2,1H3;1H.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 71783123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).