N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

C16H24FN3 — CID 105389678

IUPACN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nccc(CNC3CC3)c2F)CC1
InChIInChI=1S/C16H24FN3/c1-2-12-6-9-20(10-7-12)16-15(17)13(5-8-18-16)11-19-14-3-4-14/h5,8,12,14,19H,2-4,6-7,9-11H2,1H3
InChIKeyAQYMEZMIFDIXGM-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105389678) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105389678
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nccc(CNC3CC3)c2F)CC1
InChIInChI=1S/C16H24FN3/c1-2-12-6-9-20(10-7-12)16-15(17)13(5-8-18-16)11-19-14-3-4-14/h5,8,12,14,19H,2-4,6-7,9-11H2,1H3
InChIKeyAQYMEZMIFDIXGM-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105389678) is N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is CCC1CCN(c2nccc(CNC3CC3)c2F)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AQYMEZMIFDIXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-12-6-9-20(10-7-12)16-15(17)13(5-8-18-16)11-19-14-3-4-14/h5,8,12,14,19H,2-4,6-7,9-11H2,1H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 277.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).