3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine

C16H25FN2O — CID 102875920

IUPAC3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(OC)cc2F)CCC1NC
InChIInChI=1S/C16H25FN2O/c1-4-12-10-19(8-7-16(12)18-2)11-13-5-6-14(20-3)9-15(13)17/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3
InChIKeyCLGLJSNOPLMSSW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds5

About 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine

3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 102875920) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID102875920
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(OC)cc2F)CCC1NC
InChIInChI=1S/C16H25FN2O/c1-4-12-10-19(8-7-16(12)18-2)11-13-5-6-14(20-3)9-15(13)17/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3
InChIKeyCLGLJSNOPLMSSW-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507833
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 26317541
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210587
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
(NE)-N-[3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876942

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine (CID 102875920) is 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine is CCC1CN(Cc2ccc(OC)cc2F)CCC1NC.
What is the InChIKey of 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is CLGLJSNOPLMSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-12-10-19(8-7-16(12)18-2)11-13-5-6-14(20-3)9-15(13)17/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine?
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 102875920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).