1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine

C11H22FN — CID 126669127

IUPAC1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine
SMILESCC(C)(F)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H22FN/c1-10(2)5-7-13(8-6-10)9-11(3,4)12/h5-9H2,1-4H3
InChIKeyPFLQBFCJAJSOKQ-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds2

About 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine

1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine (PubChem CID 126669127) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine
PubChem CID126669127
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine
SMILESCC(C)(F)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H22FN/c1-10(2)5-7-13(8-6-10)9-11(3,4)12/h5-9H2,1-4H3
InChIKeyPFLQBFCJAJSOKQ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine (CID 126669127) is 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine is CC(C)(F)CN1CCC(C)(C)CC1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine?
The InChIKey is PFLQBFCJAJSOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)5-7-13(8-6-10)9-11(3,4)12/h5-9H2,1-4H3.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine?
1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 126669127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).