N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine

C15H24FN3 — CID 103781450

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCN1CCC(CNC(C)c2cncc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-3-19-6-4-13(5-7-19)9-18-12(2)14-8-15(16)11-17-10-14/h8,10-13,18H,3-7,9H2,1-2H3
InChIKeyNMHKCXOMTVIBOW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine

N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 103781450) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID103781450
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCN1CCC(CNC(C)c2cncc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-3-19-6-4-13(5-7-19)9-18-12(2)14-8-15(16)11-17-10-14/h8,10-13,18H,3-7,9H2,1-2H3
InChIKeyNMHKCXOMTVIBOW-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 97231931
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
(1S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 97231063
2-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]piperidin-1-yl]acetamide
CID 103776848
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine
CID 99717952
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine (CID 103781450) is N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine is CCN1CCC(CNC(C)c2cncc(F)c2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is NMHKCXOMTVIBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-19-6-4-13(5-7-19)9-18-12(2)14-8-15(16)11-17-10-14/h8,10-13,18H,3-7,9H2,1-2H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine?
N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 103781450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).