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

C20H30FNO — CID 142475301

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C20H30FNO/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
InChIKeyXAXPUTHQPUHFHN-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.28
Rot. Bonds5

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

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol (PubChem CID 142475301) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
PubChem CID142475301
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C20H30FNO/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
InChIKeyXAXPUTHQPUHFHN-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.28
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

(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
1-Benzhydryl-4-tert-butylpiperidin-4-ol
CID 10314141
6-[Methyl(prop-2-enyl)amino]-4,4-diphenylheptan-3-ol
CID 44382932
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol (CID 142475301) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
The InChIKey is XAXPUTHQPUHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/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-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-ol has a molecular weight of 319.46 g/mol, XLogP of 4.28, 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]piperidin-4-ol is sourced from PubChem (CID 142475301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).