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

C23H30Cl2N2O — CID 10310023

IUPAC3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
SMILESCCC(O)(Cc1cccc(Cl)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H30Cl2N2O/c1-3-23(28,16-19-6-4-7-20(24)14-19)18(2)17-26-10-12-27(13-11-26)22-9-5-8-21(25)15-22/h4-9,14-15,18,28H,3,10-13,16-17H2,1-2H3
InChIKeyWHKOEXOJWVRRKE-UHFFFAOYSA-N
MW421.41 g/mol
LogP5.14
Rot. Bonds7

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

3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol (PubChem CID 10310023) has the molecular formula C23H30Cl2N2O and a molecular weight of 421.41 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
PubChem CID10310023
Molecular FormulaC23H30Cl2N2O
Molecular Weight421.41 g/mol
Exact Mass420.17
IUPAC Name3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
SMILESCCC(O)(Cc1cccc(Cl)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H30Cl2N2O/c1-3-23(28,16-19-6-4-7-20(24)14-19)18(2)17-26-10-12-27(13-11-26)22-9-5-8-21(25)15-22/h4-9,14-15,18,28H,3,10-13,16-17H2,1-2H3
InChIKeyWHKOEXOJWVRRKE-UHFFFAOYSA-N
XLogP5.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 10126572
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
CID 10194338
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
1-(2-butan-2-ylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 4093852
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
CID 69351262
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol (CID 10310023) is 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol is CCC(O)(Cc1cccc(Cl)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol?
The InChIKey is WHKOEXOJWVRRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O/c1-3-23(28,16-19-6-4-7-20(24)14-19)18(2)17-26-10-12-27(13-11-26)22-9-5-8-21(25)15-22/h4-9,14-15,18,28H,3,10-13,16-17H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol?
3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol has a molecular weight of 421.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol is sourced from PubChem (CID 10310023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).