3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

C17H27FN2 — CID 62643870

IUPAC3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCCC1CCN(CCC(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-14-8-11-20(12-9-14)13-10-17(19-2)15-4-6-16(18)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3
InChIKeyVDGQLKXBNVOVEN-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62643870) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62643870
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCCC1CCN(CCC(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-14-8-11-20(12-9-14)13-10-17(19-2)15-4-6-16(18)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3
InChIKeyVDGQLKXBNVOVEN-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62644344
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (CID 62643870) is 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine is CCC1CCN(CCC(NC)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is VDGQLKXBNVOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-14-8-11-20(12-9-14)13-10-17(19-2)15-4-6-16(18)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62643870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).