(3S)-3-fluoro-1,5-dimethylpiperidine

C7H14FN — CID 177326802

IUPAC(3S)-3-fluoro-1,5-dimethylpiperidine
SMILESCC1C[C@H](F)CN(C)C1
InChIInChI=1S/C7H14FN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyFXGBBCLOXJMUNH-MLWJPKLSSA-N
MW131.19 g/mol
LogP1.30
Rot. Bonds

About (3S)-3-fluoro-1,5-dimethylpiperidine

(3S)-3-fluoro-1,5-dimethylpiperidine (PubChem CID 177326802) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (3S)-3-fluoro-1,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1,5-dimethylpiperidine
PubChem CID177326802
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(3S)-3-fluoro-1,5-dimethylpiperidine
SMILESCC1C[C@H](F)CN(C)C1
InChIInChI=1S/C7H14FN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyFXGBBCLOXJMUNH-MLWJPKLSSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1,5-dimethylpiperidine
CID 130961485
(5S)-N,1,5-trimethylpiperidin-3-amine
CID 174025014
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
3-methoxy-1,5-dimethylpiperidine
CID 91354992
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine
CID 175740234
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
2,2,2-trifluoro-1-(3-fluoro-5-methylpiperidin-1-yl)ethanone
CID 134827930
(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 174083626
bis(1,3-dimethylazetidine);3-methyloxetane
CID 158498308
1-(1,5-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 123843999

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1,5-dimethylpiperidine?
The IUPAC name of (3S)-3-fluoro-1,5-dimethylpiperidine (CID 177326802) is (3S)-3-fluoro-1,5-dimethylpiperidine.
What is the SMILES notation for (3S)-3-fluoro-1,5-dimethylpiperidine?
The canonical SMILES for (3S)-3-fluoro-1,5-dimethylpiperidine is CC1C[C@H](F)CN(C)C1.
What is the InChIKey of (3S)-3-fluoro-1,5-dimethylpiperidine?
The InChIKey is FXGBBCLOXJMUNH-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-fluoro-1,5-dimethylpiperidine?
(3S)-3-fluoro-1,5-dimethylpiperidine has a molecular weight of 131.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1,5-dimethylpiperidine is sourced from PubChem (CID 177326802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).