N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine

C18H29FN2 — CID 43584613

IUPACN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1N1CCCC(CC)C1
InChIInChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3
InChIKeyAGUIOZOCSVSYOI-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.51
Rot. Bonds6

About N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine

N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine (PubChem CID 43584613) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
PubChem CID43584613
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1N1CCCC(CC)C1
InChIInChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3
InChIKeyAGUIOZOCSVSYOI-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine (CID 43584613) is N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1N1CCCC(CC)C1.
What is the InChIKey of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is AGUIOZOCSVSYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43584613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).