N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine

C13H20FN3 — CID 55111529

IUPACN-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-2-15-10-11-5-8-17(9-6-11)13-12(14)4-3-7-16-13/h3-4,7,11,15H,2,5-6,8-10H2,1H3
InChIKeyVRPLXJZCOLXTSY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.05
Rot. Bonds4

About N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 55111529) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
PubChem CID55111529
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-2-15-10-11-5-8-17(9-6-11)13-12(14)4-3-7-16-13/h3-4,7,11,15H,2,5-6,8-10H2,1H3
InChIKeyVRPLXJZCOLXTSY-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 83062622
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 103386060
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
CID 50976058

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine (CID 55111529) is N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2ncccc2F)CC1.
What is the InChIKey of N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is VRPLXJZCOLXTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-2-15-10-11-5-8-17(9-6-11)13-12(14)4-3-7-16-13/h3-4,7,11,15H,2,5-6,8-10H2,1H3.
What are the key properties of N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 55111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).