1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

C15H23FN2 — CID 43584596

IUPAC1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2ccc(C(C)N)cc2F)C1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3
InChIKeyWVXCAVXLTJNFBL-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds3

About 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 43584596) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID43584596
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2ccc(C(C)N)cc2F)C1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3
InChIKeyWVXCAVXLTJNFBL-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
(1R)-1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-fluorophenyl]ethanamine
CID 63369044
(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine
CID 78946584
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (CID 43584596) is 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is CCC1CCCN(c2ccc(C(C)N)cc2F)C1.
What is the InChIKey of 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is WVXCAVXLTJNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 43584596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).