1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol

C15H23ClN2O2 — CID 62644931

IUPAC1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESOCCN1CCN(CCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O2/c16-14-3-1-13(2-4-14)15(20)5-6-17-7-9-18(10-8-17)11-12-19/h1-4,15,19-20H,5-12H2
InChIKeyKKEJILUKBCBFDH-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.37
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol

1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol (PubChem CID 62644931) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
PubChem CID62644931
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESOCCN1CCN(CCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O2/c16-14-3-1-13(2-4-14)15(20)5-6-17-7-9-18(10-8-17)11-12-19/h1-4,15,19-20H,5-12H2
InChIKeyKKEJILUKBCBFDH-UHFFFAOYSA-N
XLogP1.37
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
(3S)-3-(4-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-one
CID 66767699
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
CID 59144919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol (CID 62644931) is 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol is OCCN1CCN(CCC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is KKEJILUKBCBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c16-14-3-1-13(2-4-14)15(20)5-6-17-7-9-18(10-8-17)11-12-19/h1-4,15,19-20H,5-12H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 298.81 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 62644931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).