(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine

C18H24FN3S — CID 99717952

IUPAC(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine
SMILESC[C@H](NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1
InChIInChI=1S/C18H24FN3S/c1-13(15-9-16(19)12-20-10-15)21-11-14-5-3-7-22(2)18(14)17-6-4-8-23-17/h4,6,8-10,12-14,18,21H,3,5,7,11H2,1-2H3/t13-,14+,18-/m0/s1
InChIKeyQNWGPYRIGBWJJF-IYOUNJFTSA-N
MW333.48 g/mol
LogP4.02
Rot. Bonds5

About (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine

(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine (PubChem CID 99717952) has the molecular formula C18H24FN3S and a molecular weight of 333.48 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine
PubChem CID99717952
Molecular FormulaC18H24FN3S
Molecular Weight333.48 g/mol
Exact Mass333.17
IUPAC Name(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine
SMILESC[C@H](NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1
InChIInChI=1S/C18H24FN3S/c1-13(15-9-16(19)12-20-10-15)21-11-14-5-3-7-22(2)18(14)17-6-4-8-23-17/h4,6,8-10,12-14,18,21H,3,5,7,11H2,1-2H3/t13-,14+,18-/m0/s1
InChIKeyQNWGPYRIGBWJJF-IYOUNJFTSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

2,6-dichloro-4-[(1S)-1-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methylamino]ethyl]aniline
CID 124860029
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484080
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103781450
1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971398
2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111819335
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666091
2,3-dihydroxy-N-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]benzamide
CID 124625545
N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129378000
2-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 129422400

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine (CID 99717952) is (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine is C[C@H](NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1.
What is the InChIKey of (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine?
The InChIKey is QNWGPYRIGBWJJF-IYOUNJFTSA-N. The full InChI is InChI=1S/C18H24FN3S/c1-13(15-9-16(19)12-20-10-15)21-11-14-5-3-7-22(2)18(14)17-6-4-8-23-17/h4,6,8-10,12-14,18,21H,3,5,7,11H2,1-2H3/t13-,14+,18-/m0/s1.
What are the key properties of (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine?
(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine has a molecular weight of 333.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 99717952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).