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

C11H22FN — CID 58266783

IUPAC1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine
SMILESCC(C)(C)CN1CCC(C)(F)CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)9-13-7-5-11(4,12)6-8-13/h5-9H2,1-4H3
InChIKeyMTKWCOGQITYFBH-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds1

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

1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine (PubChem CID 58266783) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine
PubChem CID58266783
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine
SMILESCC(C)(C)CN1CCC(C)(F)CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)9-13-7-5-11(4,12)6-8-13/h5-9H2,1-4H3
InChIKeyMTKWCOGQITYFBH-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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Related Compounds

1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Propyl-4-methylpiperidine
CID 4100429
N-Isopentylpiperidine
CID 523252
1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
1-(2-Fluoropropyl)piperidine
CID 101432305
1-(2,2-Dimethylpropyl)piperidine
CID 14017951

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine (CID 58266783) is 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine is CC(C)(C)CN1CCC(C)(F)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine?
The InChIKey is MTKWCOGQITYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2,3)9-13-7-5-11(4,12)6-8-13/h5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine?
1-(2,2-dimethylpropyl)-4-fluoro-4-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 1-(2,2-dimethylpropyl)-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 58266783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).