(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine

C8H17FN2 — CID 164821452

IUPAC(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CNCC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyXFHYTXRORMQDIW-SFYZADRCSA-N
MW160.24 g/mol
LogP0.68
Rot. Bonds2

About (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine

(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine (PubChem CID 164821452) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
PubChem CID164821452
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CNCC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyXFHYTXRORMQDIW-SFYZADRCSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3R)-3-fluoro-N-methylpiperidin-4-amine
CID 141385333
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
1-(3-fluoropiperidin-4-yl)ethanamine
CID 178035088
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
CID 164555639
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine (CID 164821452) is (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine is CC(C)N[C@H]1CNCC[C@H]1F.
What is the InChIKey of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The InChIKey is XFHYTXRORMQDIW-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 164821452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).