4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine

C11H22FN — CID 58530588

IUPAC4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine
SMILESCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)9-11(12)5-7-13(4)8-6-11/h5-9H2,1-4H3
InChIKeyXHAPMPPFIJWPBJ-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine

4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine (PubChem CID 58530588) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine
PubChem CID58530588
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine
SMILESCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)9-11(12)5-7-13(4)8-6-11/h5-9H2,1-4H3
InChIKeyXHAPMPPFIJWPBJ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine (CID 58530588) is 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine is CN1CCC(F)(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine?
The InChIKey is XHAPMPPFIJWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2,3)9-11(12)5-7-13(4)8-6-11/h5-9H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine?
4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine is sourced from PubChem (CID 58530588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).