1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol

C23H31ClN2O2 — CID 10194338

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(OC)cc1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H31ClN2O2/c1-4-23(27,19-8-10-22(28-3)11-9-19)18(2)17-25-12-14-26(15-13-25)21-7-5-6-20(24)16-21/h5-11,16,18,27H,4,12-15,17H2,1-3H3
InChIKeyJLHFEYUPYJSLTK-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.40
Rot. Bonds7

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol (PubChem CID 10194338) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
PubChem CID10194338
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(OC)cc1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H31ClN2O2/c1-4-23(27,19-8-10-22(28-3)11-9-19)18(2)17-25-12-14-26(15-13-25)21-7-5-6-20(24)16-21/h5-11,16,18,27H,4,12-15,17H2,1-3H3
InChIKeyJLHFEYUPYJSLTK-UHFFFAOYSA-N
XLogP4.40
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 10126572
3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
CID 10310023
2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 146679977
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549919
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol (CID 10194338) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol is CCC(O)(c1ccc(OC)cc1)C(C)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol?
The InChIKey is JLHFEYUPYJSLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O2/c1-4-23(27,19-8-10-22(28-3)11-9-19)18(2)17-25-12-14-26(15-13-25)21-7-5-6-20(24)16-21/h5-11,16,18,27H,4,12-15,17H2,1-3H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol?
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol has a molecular weight of 402.97 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 10194338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).