4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide

C14H20FN3O — CID 169224360

IUPAC4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(N)=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c15-12-3-1-10(2-4-12)13-9-18(14(17)19)8-6-11(13)5-7-16/h1-4,11,13H,5-9,16H2,(H2,17,19)
InChIKeyFPYUFUJCRINHMW-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.66
Rot. Bonds3

About 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide

4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 169224360) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID169224360
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(N)=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c15-12-3-1-10(2-4-12)13-9-18(14(17)19)8-6-11(13)5-7-16/h1-4,11,13H,5-9,16H2,(H2,17,19)
InChIKeyFPYUFUJCRINHMW-UHFFFAOYSA-N
XLogP1.66
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 124675425
tert-butyl (3R,4S)-3-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 69060656
3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
CID 154783713
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 173469704
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
1-[2-[(3S,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 125144801

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide (CID 169224360) is 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide is NCCC1CCN(C(N)=O)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is FPYUFUJCRINHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-3-1-10(2-4-12)13-9-18(14(17)19)8-6-11(13)5-7-16/h1-4,11,13H,5-9,16H2,(H2,17,19).
What are the key properties of 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide?
4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 169224360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).