(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine

C13H19FN2 — CID 175660491

IUPAC(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@H](N)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-16-7-3-6-12(15)13(16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13H,3,6-7,9,15H2,1H3/t12-,13-/m0/s1
InChIKeyFIBWHAGNCYJFCO-STQMWFEESA-N
MW222.31 g/mol
LogP1.79
Rot. Bonds2

About (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine

(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 175660491) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID175660491
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@H](N)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-16-7-3-6-12(15)13(16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13H,3,6-7,9,15H2,1H3/t12-,13-/m0/s1
InChIKeyFIBWHAGNCYJFCO-STQMWFEESA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 156533967
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
2-[(3-fluorophenyl)methyl]-1,3-dithiane
CID 19793236
[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462009

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine (CID 175660491) is (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine is CN1CCC[C@H](N)[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is FIBWHAGNCYJFCO-STQMWFEESA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-7-3-6-12(15)13(16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13H,3,6-7,9,15H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 175660491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).