2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine

C14H22FN — CID 166963531

IUPAC2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2=CC(F)C(C)(C)C=C2)NC1
InChIInChI=1S/C14H22FN/c1-10-4-5-12(16-9-10)11-6-7-14(2,3)13(15)8-11/h6-8,10,12-13,16H,4-5,9H2,1-3H3
InChIKeyULRDJGGMWPULIF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.23
Rot. Bonds1

About 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine

2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine (PubChem CID 166963531) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine
PubChem CID166963531
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2=CC(F)C(C)(C)C=C2)NC1
InChIInChI=1S/C14H22FN/c1-10-4-5-12(16-9-10)11-6-7-14(2,3)13(15)8-11/h6-8,10,12-13,16H,4-5,9H2,1-3H3
InChIKeyULRDJGGMWPULIF-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine?
The IUPAC name of 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine (CID 166963531) is 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine.
What is the SMILES notation for 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine?
The canonical SMILES for 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine is CC1CCC(C2=CC(F)C(C)(C)C=C2)NC1.
What is the InChIKey of 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine?
The InChIKey is ULRDJGGMWPULIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10-4-5-12(16-9-10)11-6-7-14(2,3)13(15)8-11/h6-8,10,12-13,16H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine?
2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine has a molecular weight of 223.34 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpiperidine is sourced from PubChem (CID 166963531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).