1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine

C16H25FN2 — CID 55020487

IUPAC1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCC1CCCN(C(c2cccc(F)c2)C(C)N)C1
InChIInChI=1S/C16H25FN2/c1-3-13-6-5-9-19(11-13)16(12(2)18)14-7-4-8-15(17)10-14/h4,7-8,10,12-13,16H,3,5-6,9,11,18H2,1-2H3
InChIKeyVAFRZVGFHCAGKX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine

1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 55020487) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID55020487
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCC1CCCN(C(c2cccc(F)c2)C(C)N)C1
InChIInChI=1S/C16H25FN2/c1-3-13-6-5-9-19(11-13)16(12(2)18)14-7-4-8-15(17)10-14/h4,7-8,10,12-13,16H,3,5-6,9,11,18H2,1-2H3
InChIKeyVAFRZVGFHCAGKX-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
CID 98764853
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-benzhydryl-3-ethylpiperidine
CID 22970041
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine (CID 55020487) is 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine is CCC1CCCN(C(c2cccc(F)c2)C(C)N)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is VAFRZVGFHCAGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-6-5-9-19(11-13)16(12(2)18)14-7-4-8-15(17)10-14/h4,7-8,10,12-13,16H,3,5-6,9,11,18H2,1-2H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55020487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).