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

C20H29ClFN — CID 142475074

IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(F)CC1
InChIInChI=1S/C20H29ClFN/c1-15(2)13-19(23-11-9-18(22)10-12-23)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19H,9-12,14H2,1-4H3
InChIKeyVVGUDBUHAQUMGZ-UHFFFAOYSA-N
MW337.91 g/mol
LogP5.78
Rot. Bonds5

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

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine (PubChem CID 142475074) has the molecular formula C20H29ClFN and a molecular weight of 337.91 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine
PubChem CID142475074
Molecular FormulaC20H29ClFN
Molecular Weight337.91 g/mol
Exact Mass337.20
IUPAC Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(F)CC1
InChIInChI=1S/C20H29ClFN/c1-15(2)13-19(23-11-9-18(22)10-12-23)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19H,9-12,14H2,1-4H3
InChIKeyVVGUDBUHAQUMGZ-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.91
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine?
The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine (CID 142475074) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine is CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(F)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine?
The InChIKey is VVGUDBUHAQUMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN/c1-15(2)13-19(23-11-9-18(22)10-12-23)14-20(3,4)16-5-7-17(21)8-6-16/h5-8,13,18-19H,9-12,14H2,1-4H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine?
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine has a molecular weight of 337.91 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine is sourced from PubChem (CID 142475074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).