1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol

C25H35ClN2O — CID 69351262

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
SMILESCC(CCCCc1ccccc1)C(O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H35ClN2O/c1-21(8-5-6-11-22-9-3-2-4-10-22)25(29)14-15-27-16-18-28(19-17-27)24-13-7-12-23(26)20-24/h2-4,7,9-10,12-13,20-21,25,29H,5-6,8,11,14-19H2,1H3
InChIKeyUEGYKWXSJNGFFA-UHFFFAOYSA-N
MW415.02 g/mol
LogP5.26
Rot. Bonds10

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol

1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol (PubChem CID 69351262) has the molecular formula C25H35ClN2O and a molecular weight of 415.02 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
PubChem CID69351262
Molecular FormulaC25H35ClN2O
Molecular Weight415.02 g/mol
Exact Mass414.24
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
SMILESCC(CCCCc1ccccc1)C(O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H35ClN2O/c1-21(8-5-6-11-22-9-3-2-4-10-22)25(29)14-15-27-16-18-28(19-17-27)24-13-7-12-23(26)20-24/h2-4,7,9-10,12-13,20-21,25,29H,5-6,8,11,14-19H2,1H3
InChIKeyUEGYKWXSJNGFFA-UHFFFAOYSA-N
XLogP5.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
CID 14423689
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(4-phenylbutyl)-1,2,4-triazol-3-one
CID 13369924
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
CID 10310023
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone
CID 172742705
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol (CID 69351262) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol is CC(CCCCc1ccccc1)C(O)CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol?
The InChIKey is UEGYKWXSJNGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O/c1-21(8-5-6-11-22-9-3-2-4-10-22)25(29)14-15-27-16-18-28(19-17-27)24-13-7-12-23(26)20-24/h2-4,7,9-10,12-13,20-21,25,29H,5-6,8,11,14-19H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol?
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol has a molecular weight of 415.02 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol is sourced from PubChem (CID 69351262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).