2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine

C15H20FN3 — CID 83987551

IUPAC2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
SMILESNCC(c1c[nH]c2ccc(F)cc12)C1CCCCN1
InChIInChI=1S/C15H20FN3/c16-10-4-5-15-11(7-10)13(9-19-15)12(8-17)14-3-1-2-6-18-14/h4-5,7,9,12,14,18-19H,1-3,6,8,17H2
InChIKeyJQAFAVFRWONNGZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.49
Rot. Bonds3

About 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine

2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine (PubChem CID 83987551) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
PubChem CID83987551
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
SMILESNCC(c1c[nH]c2ccc(F)cc12)C1CCCCN1
InChIInChI=1S/C15H20FN3/c16-10-4-5-15-11(7-10)13(9-19-15)12(8-17)14-3-1-2-6-18-14/h4-5,7,9,12,14,18-19H,1-3,6,8,17H2
InChIKeyJQAFAVFRWONNGZ-UHFFFAOYSA-N
XLogP2.49
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 83987267
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
CID 18694425
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 95241738
6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine
CID 67698077
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
CID 83986370
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine (CID 83987551) is 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine is NCC(c1c[nH]c2ccc(F)cc12)C1CCCCN1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine?
The InChIKey is JQAFAVFRWONNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c16-10-4-5-15-11(7-10)13(9-19-15)12(8-17)14-3-1-2-6-18-14/h4-5,7,9,12,14,18-19H,1-3,6,8,17H2.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine?
2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine is sourced from PubChem (CID 83987551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).