(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine

C13H19FN2 — CID 67650944

IUPAC(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
SMILESC[C@@H](N[C@@H]1CCNC[C@H]1F)c1ccccc1
InChIInChI=1S/C13H19FN2/c1-10(11-5-3-2-4-6-11)16-13-7-8-15-9-12(13)14/h2-6,10,12-13,15-16H,7-9H2,1H3/t10-,12-,13-/m1/s1
InChIKeyWEAHXWFPBHUQGH-RAIGVLPGSA-N
MW222.31 g/mol
LogP2.04
Rot. Bonds3

About (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine

(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine (PubChem CID 67650944) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
PubChem CID67650944
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
SMILESC[C@@H](N[C@@H]1CCNC[C@H]1F)c1ccccc1
InChIInChI=1S/C13H19FN2/c1-10(11-5-3-2-4-6-11)16-13-7-8-15-9-12(13)14/h2-6,10,12-13,15-16H,7-9H2,1H3/t10-,12-,13-/m1/s1
InChIKeyWEAHXWFPBHUQGH-RAIGVLPGSA-N
XLogP2.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
CID 141266125
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
CID 149434678
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The IUPAC name of (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine (CID 67650944) is (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The canonical SMILES for (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine is C[C@@H](N[C@@H]1CCNC[C@H]1F)c1ccccc1.
What is the InChIKey of (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The InChIKey is WEAHXWFPBHUQGH-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(11-5-3-2-4-6-11)16-13-7-8-15-9-12(13)14/h2-6,10,12-13,15-16H,7-9H2,1H3/t10-,12-,13-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine?
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine is sourced from PubChem (CID 67650944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).