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

C21H32ClNO — CID 142475127

IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C21H32ClNO/c1-16(2)14-19(23-12-10-21(5,24)11-13-23)15-20(3,4)17-6-8-18(22)9-7-17/h6-9,14,19,24H,10-13,15H2,1-5H3
InChIKeyAJBYJQPTXFHWHH-UHFFFAOYSA-N
MW349.95 g/mol
LogP5.19
Rot. Bonds5

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

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol (PubChem CID 142475127) has the molecular formula C21H32ClNO and a molecular weight of 349.95 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
PubChem CID142475127
Molecular FormulaC21H32ClNO
Molecular Weight349.95 g/mol
Exact Mass349.22
IUPAC Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C21H32ClNO/c1-16(2)14-19(23-12-10-21(5,24)11-13-23)15-20(3,4)17-6-8-18(22)9-7-17/h6-9,14,19,24H,10-13,15H2,1-5H3
InChIKeyAJBYJQPTXFHWHH-UHFFFAOYSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.95
LogP ≤ 55.19
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]-4-methylpiperidin-4-ol with MolForge

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Related Compounds

4-Piperidinol, 4-(t-butyl)-1-((10,11-dihydro-2-chloro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-, hydrochloride, (+-)-
CID 3060732
(2S,7R,9aR)-2-tert-butyl-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
CID 45264421
US11214540, Example 55
CID 142475074
US11214540, Example 62
CID 142475289
US11214540, Example 5
CID 142475100
US11214540, Example 16
CID 142475102
US11214540, Example 22
CID 142475262
US11214540, Example 20
CID 142475282
US11214540, Example 8
CID 142475437
US11214540, Example 10
CID 142475439
US11214540, Example 23
CID 142475059
US11214540, Example 77
CID 142475176

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol (CID 142475127) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol is CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is AJBYJQPTXFHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO/c1-16(2)14-19(23-12-10-21(5,24)11-13-23)15-20(3,4)17-6-8-18(22)9-7-17/h6-9,14,19,24H,10-13,15H2,1-5H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 349.95 g/mol, XLogP of 5.19, 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 142475127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).