1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine

C11H22FN — CID 59848520

IUPAC1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine
SMILESCC(C)(C)CN1CCC(CF)CC1
InChIInChI=1S/C11H22FN/c1-11(2,3)9-13-6-4-10(8-12)5-7-13/h10H,4-9H2,1-3H3
InChIKeyCFFAZTBADBSDRS-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine

1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine (PubChem CID 59848520) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine
PubChem CID59848520
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine
SMILESCC(C)(C)CN1CCC(CF)CC1
InChIInChI=1S/C11H22FN/c1-11(2,3)9-13-6-4-10(8-12)5-7-13/h10H,4-9H2,1-3H3
InChIKeyCFFAZTBADBSDRS-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1,4-Dimethylpiperidine
CID 136514
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
Piperidine, 1-(2-methylpropyl)-
CID 139128
1-Propyl-4-methylpiperidine
CID 4100429
N-Isopentylpiperidine
CID 523252
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1,4,4-Trimethylpiperidine
CID 136794

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine (CID 59848520) is 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine is CC(C)(C)CN1CCC(CF)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine?
The InChIKey is CFFAZTBADBSDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)9-13-6-4-10(8-12)5-7-13/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine?
1-(2,2-dimethylpropyl)-4-(fluoromethyl)piperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 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)-4-(fluoromethyl)piperidine is sourced from PubChem (CID 59848520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).