2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone

C13H17FN2O — CID 62037679

IUPAC2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C13H17FN2O/c14-12-6-2-1-5-11(12)13(17)9-16-7-3-4-10(15)8-16/h1-2,5-6,10H,3-4,7-9,15H2
InChIKeyKJWJBONBSNNRLH-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.43
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone

2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 62037679) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
PubChem CID62037679
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C13H17FN2O/c14-12-6-2-1-5-11(12)13(17)9-16-7-3-4-10(15)8-16/h1-2,5-6,10H,3-4,7-9,15H2
InChIKeyKJWJBONBSNNRLH-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
CID 102985024
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone (CID 62037679) is 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone is NC1CCCN(CC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is KJWJBONBSNNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-6-2-1-5-11(12)13(17)9-16-7-3-4-10(15)8-16/h1-2,5-6,10H,3-4,7-9,15H2.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone?
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 62037679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).