N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

C17H25FN2O — CID 106532790

IUPACN-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCOC1CCCN(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C17H25FN2O/c1-2-21-17-4-3-7-20(12-17)16-9-13(8-14(18)10-16)11-19-15-5-6-15/h8-10,15,17,19H,2-7,11-12H2,1H3
InChIKeyNNYGMFCOJAIWMK-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.08
Rot. Bonds6

About N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106532790) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106532790
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCOC1CCCN(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C17H25FN2O/c1-2-21-17-4-3-7-20(12-17)16-9-13(8-14(18)10-16)11-19-15-5-6-15/h8-10,15,17,19H,2-7,11-12H2,1H3
InChIKeyNNYGMFCOJAIWMK-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
CID 106529175
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767596
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 106532790) is N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is CCOC1CCCN(c2cc(F)cc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is NNYGMFCOJAIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-21-17-4-3-7-20(12-17)16-9-13(8-14(18)10-16)11-19-15-5-6-15/h8-10,15,17,19H,2-7,11-12H2,1H3.
What are the key properties of N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 292.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106532790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).