3-fluoro-3-methyl-1-propan-2-ylpiperidine

C9H18FN — CID 58285126

IUPAC3-fluoro-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-6-4-5-9(3,10)7-11/h8H,4-7H2,1-3H3
InChIKeyUMTAAXWXVJOWOS-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds1

About 3-fluoro-3-methyl-1-propan-2-ylpiperidine

3-fluoro-3-methyl-1-propan-2-ylpiperidine (PubChem CID 58285126) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylpiperidine
PubChem CID58285126
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-6-4-5-9(3,10)7-11/h8H,4-7H2,1-3H3
InChIKeyUMTAAXWXVJOWOS-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-3-methylpiperidine
CID 102760
N-Isopropylpiperidine
CID 240410
1,2,5-Trimethylpiperidine
CID 338922
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
Piperidine, 1,2,4-trimethyl-
CID 21627804
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
1-(2-Fluoropropyl)piperidine
CID 101432305
1-Butyl-3-methylpiperidine
CID 6428881
Piperidine, 1-propyl-3-methyl
CID 6428890
1-(tert-Butyl)-3-methyl-piperidine
CID 587674

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylpiperidine (CID 58285126) is 3-fluoro-3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylpiperidine is CC(C)N1CCCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylpiperidine?
The InChIKey is UMTAAXWXVJOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)11-6-4-5-9(3,10)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylpiperidine?
3-fluoro-3-methyl-1-propan-2-ylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 58285126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).