1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol

C20H30ClNO — CID 142475176

IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C20H30ClNO/c1-15(2)13-18(22-11-9-19(23)10-12-22)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19,23H,9-12,14H2,1-4H3
InChIKeySOXMTDVYACOYHH-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.80
Rot. Bonds5

About 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol (PubChem CID 142475176) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
PubChem CID142475176
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C20H30ClNO/c1-15(2)13-18(22-11-9-19(23)10-12-22)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19,23H,9-12,14H2,1-4H3
InChIKeySOXMTDVYACOYHH-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol (CID 142475176) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol is CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The InChIKey is SOXMTDVYACOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-15(2)13-18(22-11-9-19(23)10-12-22)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19,23H,9-12,14H2,1-4H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol has a molecular weight of 335.92 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol is sourced from PubChem (CID 142475176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).