1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine

C16H24FN — CID 59848743

IUPAC1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CN1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyOIJUQNNIRWRVDN-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.05
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine

1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine (PubChem CID 59848743) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
PubChem CID59848743
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CN1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyOIJUQNNIRWRVDN-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)piperidin-1-amine
CID 83531194
1-[3-(4-fluorophenyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 90608728
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 97194980
1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608725
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
3-(4-fluorophenyl)-1-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]piperidine;hydrochloride
CID 158182272
1-chloro-3-(4-fluorophenyl)pyrrolidine
CID 89031405
1-(2,2-dimethylpropyl)-3-phenyl-1,4-diazepane
CID 64944001

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine (CID 59848743) is 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine is CC(C)(C)CN1CCCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The InChIKey is OIJUQNNIRWRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine has a molecular weight of 249.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine is sourced from PubChem (CID 59848743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).