3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine

C16H25FN2 — CID 62643869

IUPAC3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC1CCN(CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-2-13-7-10-19(11-8-13)12-9-16(18)14-3-5-15(17)6-4-14/h3-6,13,16H,2,7-12,18H2,1H3
InChIKeyPMYFAQBDVMTWDJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds5

About 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine (PubChem CID 62643869) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
PubChem CID62643869
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC1CCN(CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-2-13-7-10-19(11-8-13)12-9-16(18)14-3-5-15(17)6-4-14/h3-6,13,16H,2,7-12,18H2,1H3
InChIKeyPMYFAQBDVMTWDJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643238
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63236752

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine (CID 62643869) is 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine is CCC1CCN(CCC(N)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is PMYFAQBDVMTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-13-7-10-19(11-8-13)12-9-16(18)14-3-5-15(17)6-4-14/h3-6,13,16H,2,7-12,18H2,1H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 5 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)propan-1-amine is sourced from PubChem (CID 62643869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).