(3R,4S)-3-fluoro-4-methylpiperidin-1-amine

C6H13FN2 — CID 144819078

IUPAC(3R,4S)-3-fluoro-4-methylpiperidin-1-amine
SMILESC[C@H]1CCN(N)C[C@@H]1F
InChIInChI=1S/C6H13FN2/c1-5-2-3-9(8)4-6(5)7/h5-6H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyFGSNTKOCJIJYRH-WDSKDSINSA-N
MW132.18 g/mol
LogP0.54
Rot. Bonds

About (3R,4S)-3-fluoro-4-methylpiperidin-1-amine

(3R,4S)-3-fluoro-4-methylpiperidin-1-amine (PubChem CID 144819078) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methylpiperidin-1-amine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methylpiperidin-1-amine
PubChem CID144819078
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3R,4S)-3-fluoro-4-methylpiperidin-1-amine
SMILESC[C@H]1CCN(N)C[C@@H]1F
InChIInChI=1S/C6H13FN2/c1-5-2-3-9(8)4-6(5)7/h5-6H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyFGSNTKOCJIJYRH-WDSKDSINSA-N
XLogP0.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-(Trifluoromethyl)piperidin-1-amine dihydrochloride
CID 122163370
4-Methylpiperidin-1-amine
CID 3733587
3-Fluoro-piperidin-1-ylamine
CID 49761204
4-Fluoro-piperidin-1-ylamine
CID 53404320
3-(Trifluoromethyl)piperidin-1-amine
CID 53417581
4-(Trifluoromethyl)piperidin-1-amine
CID 53418162
N-methyl-4-(trifluoromethyl)piperidin-1-amine
CID 57581210
3-(Difluoromethyl)piperidin-1-amine
CID 70438836
3-Fluoro-3-methylpiperidin-1-amine
CID 118303158
4-(Trifluoromethyl)piperidin-1-amine hydrochloride
CID 122360073
(3R,5S)-3,5-bis(trifluoromethyl)piperidin-1-amine
CID 135137655
3-(Fluoromethyl)-5-methylpiperidin-1-amine
CID 135137988

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methylpiperidin-1-amine?
The IUPAC name of (3R,4S)-3-fluoro-4-methylpiperidin-1-amine (CID 144819078) is (3R,4S)-3-fluoro-4-methylpiperidin-1-amine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methylpiperidin-1-amine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methylpiperidin-1-amine is C[C@H]1CCN(N)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methylpiperidin-1-amine?
The InChIKey is FGSNTKOCJIJYRH-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5-2-3-9(8)4-6(5)7/h5-6H,2-4,8H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methylpiperidin-1-amine?
(3R,4S)-3-fluoro-4-methylpiperidin-1-amine has a molecular weight of 132.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methylpiperidin-1-amine is sourced from PubChem (CID 144819078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).