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

C21H32FNO — CID 142475289

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C21H32FNO/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
InChIKeyAFQBRKLPIKBHRA-UHFFFAOYSA-N
MW333.49 g/mol
LogP4.68
Rot. Bonds5

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

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol (PubChem CID 142475289) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
PubChem CID142475289
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C21H32FNO/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
InChIKeyAFQBRKLPIKBHRA-UHFFFAOYSA-N
XLogP4.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidinol, 4-(t-butyl)-1-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-, (+-)-
CID 3053246
4-Piperidinol, 4-(t-butyl)-1-((5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-, hydrochloride
CID 3053248
1-Benzhydryl-4-tert-butylpiperidin-4-ol
CID 10314141
1-Benzhydryl-4-isopropylpiperidin-4-ol
CID 44430025
4-Tert-butyl-1-(2,2-diphenylethyl)-4-piperidinol
CID 12515636
US11214540, Example 13
CID 142475191
US11214540, Example 68
CID 142475064
US11214540, Example 38
CID 142475099
US11214540, Example 76
CID 142475171
1-[3-Methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
CID 142475175
US11214540, Example 25
CID 142475217
US11214540, Example 14
CID 142475220

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol (CID 142475289) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is AFQBRKLPIKBHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO/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-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 333.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 142475289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).