1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine

C26H40FNO2 — CID 142475280

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(CCOC2CCOC2)CC1
InChIInChI=1S/C26H40FNO2/c1-20(2)17-24(18-26(3,4)22-5-7-23(27)8-6-22)28-13-9-21(10-14-28)11-16-30-25-12-15-29-19-25/h5-8,17,21,24-25H,9-16,18-19H2,1-4H3
InChIKeyUVYNAWSOFNDSGB-UHFFFAOYSA-N
MW417.61 g/mol
LogP5.74
Rot. Bonds9

About 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine (PubChem CID 142475280) has the molecular formula C26H40FNO2 and a molecular weight of 417.61 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine
PubChem CID142475280
Molecular FormulaC26H40FNO2
Molecular Weight417.61 g/mol
Exact Mass417.30
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(CCOC2CCOC2)CC1
InChIInChI=1S/C26H40FNO2/c1-20(2)17-24(18-26(3,4)22-5-7-23(27)8-6-22)28-13-9-21(10-14-28)11-16-30-25-12-15-29-19-25/h5-8,17,21,24-25H,9-16,18-19H2,1-4H3
InChIKeyUVYNAWSOFNDSGB-UHFFFAOYSA-N
XLogP5.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.61
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

US11214540, Example 58
CID 142475228
US11214540, Example 182
CID 142475283
US11214540, Example 15
CID 142475296
US11214540, Example 59
CID 142475335
US11214540, Example 40
CID 142475345
US11214540, Example 36
CID 142475381
US11214540, Example 34
CID 142475431
3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
8-Tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane
CID 18342614
1-[6-(4-Fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine
CID 142475060

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine (CID 142475280) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(CCOC2CCOC2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine?
The InChIKey is UVYNAWSOFNDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40FNO2/c1-20(2)17-24(18-26(3,4)22-5-7-23(27)8-6-22)28-13-9-21(10-14-28)11-16-30-25-12-15-29-19-25/h5-8,17,21,24-25H,9-16,18-19H2,1-4H3.
What are the key properties of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine has a molecular weight of 417.61 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine is sourced from PubChem (CID 142475280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).