2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine

C16H24FN — CID 115058723

IUPAC2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CC1(c2ccc(F)cc2)CCCCN1
InChIInChI=1S/C16H24FN/c1-15(2,3)12-16(10-4-5-11-18-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyWZYQSDUROKHTRD-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.23
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine

2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine (PubChem CID 115058723) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
PubChem CID115058723
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CC1(c2ccc(F)cc2)CCCCN1
InChIInChI=1S/C16H24FN/c1-15(2,3)12-16(10-4-5-11-18-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyWZYQSDUROKHTRD-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)azepane
CID 115059409
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
CID 115058613
[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
2-ethyl-2-(4-ethylphenyl)azepane
CID 79116595
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
CID 117272084
2-(2,4-difluorophenyl)-2-propylazepane
CID 79118364
2-ethyl-2-(3-fluoro-5-methylphenyl)azepane
CID 79704729
[2-(4-fluorophenyl)azetidin-2-yl]methanamine
CID 115059268
2-phenyl-2-propylazepane
CID 79117631

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine (CID 115058723) is 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine is CC(C)(C)CC1(c2ccc(F)cc2)CCCCN1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine?
The InChIKey is WZYQSDUROKHTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-15(2,3)12-16(10-4-5-11-18-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine?
2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine has a molecular weight of 249.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine is sourced from PubChem (CID 115058723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).