(3S,4R)-4-fluoropiperidin-3-amine

C5H11FN2 — CID 97053659

IUPAC(3S,4R)-4-fluoropiperidin-3-amine
SMILESN[C@H]1CNCC[C@H]1F
InChIInChI=1S/C5H11FN2/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyTUPWXEMZUIDTEF-UHNVWZDZSA-N
MW118.16 g/mol
LogP-0.35
Rot. Bonds

About (3S,4R)-4-fluoropiperidin-3-amine

(3S,4R)-4-fluoropiperidin-3-amine (PubChem CID 97053659) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (3S,4R)-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-fluoropiperidin-3-amine
PubChem CID97053659
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(3S,4R)-4-fluoropiperidin-3-amine
SMILESN[C@H]1CNCC[C@H]1F
InChIInChI=1S/C5H11FN2/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyTUPWXEMZUIDTEF-UHNVWZDZSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-4-fluoropiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
(3R)-3-aminopiperidin-4-ol
CID 52917019
(3S,4S)-3-aminopiperidin-4-ol;dihydrochloride
CID 171370179
4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
CID 84769566
(3R)-4-cyclopropylpiperidin-3-amine;dihydrochloride
CID 76844694
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
CID 164821452
4-cyclopentylpiperidin-3-amine
CID 84765487
4-aminopiperidin-3-ol
CID 54373786
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
(3S)-3-fluoropyrrolidine;molecular hydrogen
CID 142415652
(3R)-3-fluoropyrrolidine;molecular hydrogen
CID 178127411

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluoropiperidin-3-amine?
The IUPAC name of (3S,4R)-4-fluoropiperidin-3-amine (CID 97053659) is (3S,4R)-4-fluoropiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-fluoropiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-fluoropiperidin-3-amine is N[C@H]1CNCC[C@H]1F.
What is the InChIKey of (3S,4R)-4-fluoropiperidin-3-amine?
The InChIKey is TUPWXEMZUIDTEF-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11FN2/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-4-fluoropiperidin-3-amine?
(3S,4R)-4-fluoropiperidin-3-amine has a molecular weight of 118.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluoropiperidin-3-amine is sourced from PubChem (CID 97053659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).