(3R,4R)-3-fluoro-1,4-dimethylpiperidine

C7H14FN — CID 58073464

IUPAC(3R,4R)-3-fluoro-1,4-dimethylpiperidine
SMILESC[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C7H14FN/c1-6-3-4-9(2)5-7(6)8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyMRNKRZBKMTXQLG-RQJHMYQMSA-N
MW131.19 g/mol
LogP1.30
Rot. Bonds

About (3R,4R)-3-fluoro-1,4-dimethylpiperidine

(3R,4R)-3-fluoro-1,4-dimethylpiperidine (PubChem CID 58073464) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1,4-dimethylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1,4-dimethylpiperidine
PubChem CID58073464
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(3R,4R)-3-fluoro-1,4-dimethylpiperidine
SMILESC[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C7H14FN/c1-6-3-4-9(2)5-7(6)8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyMRNKRZBKMTXQLG-RQJHMYQMSA-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

1,4-Dimethylpiperidine
CID 136514
1,3-Dimethylpiperidine
CID 136517
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Propyl-4-methylpiperidine
CID 4100429
Piperidine, 3-fluoro-1-methyl-
CID 44306542
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
4-Methylpiperidine-1-carbonitrile
CID 13442629
1,4--Dimethylpiperidine hydrochloride
CID 129698319
(1,4-Dimethylpiperidin-1-ium-1-yl)-trifluoroboranuide
CID 434455

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-1,4-dimethylpiperidine (CID 58073464) is (3R,4R)-3-fluoro-1,4-dimethylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-1,4-dimethylpiperidine is C[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The InChIKey is MRNKRZBKMTXQLG-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-3-4-9(2)5-7(6)8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1,4-dimethylpiperidine?
(3R,4R)-3-fluoro-1,4-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 (3R,4R)-3-fluoro-1,4-dimethylpiperidine is sourced from PubChem (CID 58073464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).