1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine

C17H27FN2O — CID 82793255

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H27FN2O/c1-17(2,20-11-6-5-7-12-20)16(19-3)13-9-8-10-14(21-4)15(13)18/h8-10,16,19H,5-7,11-12H2,1-4H3
InChIKeyUPWGVEBZUMBMKN-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine

1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 82793255) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
PubChem CID82793255
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H27FN2O/c1-17(2,20-11-6-5-7-12-20)16(19-3)13-9-8-10-14(21-4)15(13)18/h8-10,16,19H,5-7,11-12H2,1-4H3
InChIKeyUPWGVEBZUMBMKN-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104794094
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(2-cyclobutylphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114603689

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine (CID 82793255) is 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine is CNC(c1cccc(OC)c1F)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is UPWGVEBZUMBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-17(2,20-11-6-5-7-12-20)16(19-3)13-9-8-10-14(21-4)15(13)18/h8-10,16,19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82793255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).