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

C15H22FN3O — CID 102967859

IUPACN-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CCCN(c2nccc(CNC3CC3)c2F)C1
InChIInChI=1S/C15H22FN3O/c1-20-13-3-2-8-19(10-13)15-14(16)11(6-7-17-15)9-18-12-4-5-12/h6-7,12-13,18H,2-5,8-10H2,1H3
InChIKeyIPEQOGOQBWZNGU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.09
Rot. Bonds5

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

N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 102967859) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID102967859
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CCCN(c2nccc(CNC3CC3)c2F)C1
InChIInChI=1S/C15H22FN3O/c1-20-13-3-2-8-19(10-13)15-14(16)11(6-7-17-15)9-18-12-4-5-12/h6-7,12-13,18H,2-5,8-10H2,1H3
InChIKeyIPEQOGOQBWZNGU-UHFFFAOYSA-N
XLogP2.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390394
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105388892
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
1-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 105390071
N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105390053
N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390461
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 102967859) is N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is COC1CCCN(c2nccc(CNC3CC3)c2F)C1.
What is the InChIKey of N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is IPEQOGOQBWZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-20-13-3-2-8-19(10-13)15-14(16)11(6-7-17-15)9-18-12-4-5-12/h6-7,12-13,18H,2-5,8-10H2,1H3.
What are the key properties of N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 279.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102967859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).