1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide

C14H20FN3O — CID 43188807

IUPAC1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(N2CCC(C(N)=O)CC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c1-9(16)11-2-3-13(12(15)8-11)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19)
InChIKeyWNPSQINQWWXOKL-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.55
Rot. Bonds3

About 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide

1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide (PubChem CID 43188807) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
PubChem CID43188807
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(N2CCC(C(N)=O)CC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c1-9(16)11-2-3-13(12(15)8-11)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19)
InChIKeyWNPSQINQWWXOKL-UHFFFAOYSA-N
XLogP1.55
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
ethyl 4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperazine-1-carboxylate
CID 107877088
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787
(1S)-1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]ethanamine
CID 79005160
(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide (CID 43188807) is 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide is CC(N)c1ccc(N2CCC(C(N)=O)CC2)c(F)c1.
What is the InChIKey of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide?
The InChIKey is WNPSQINQWWXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9(16)11-2-3-13(12(15)8-11)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19).
What are the key properties of 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide?
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).