(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol

C15H23ClN2O — CID 95299218

IUPAC(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyAJAYOEWDPHPQSH-OAHLLOKOSA-N
MW282.81 g/mol
LogP2.40
Rot. Bonds5

About (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol

(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol (PubChem CID 95299218) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
PubChem CID95299218
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyAJAYOEWDPHPQSH-OAHLLOKOSA-N
XLogP2.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol 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

ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
4-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,4-diazepane-1-carboxamide
CID 111116518
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol (CID 95299218) is (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol is CCCN1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol?
The InChIKey is AJAYOEWDPHPQSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-7-17-8-10-18(11-9-17)12-15(19)13-3-5-14(16)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol?
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol is sourced from PubChem (CID 95299218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).