1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one

C14H19FN2O — CID 165441048

IUPAC1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(F)cc2)C(N)C1
InChIInChI=1S/C14H19FN2O/c1-2-14(18)17-8-7-12(13(16)9-17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3
InChIKeyAYWTZNVNFUYOFA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.88
Rot. Bonds2

About 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one

1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one (PubChem CID 165441048) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
PubChem CID165441048
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(F)cc2)C(N)C1
InChIInChI=1S/C14H19FN2O/c1-2-14(18)17-8-7-12(13(16)9-17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3
InChIKeyAYWTZNVNFUYOFA-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3R,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 125144692
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
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608725
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 59079044

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one (CID 165441048) is 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccc(F)cc2)C(N)C1.
What is the InChIKey of 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The InChIKey is AYWTZNVNFUYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-14(18)17-8-7-12(13(16)9-17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3.
What are the key properties of 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 165441048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).