2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone

C15H22N2O — CID 62036122

IUPAC2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCCC(N)C2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)15(18)11-17-9-3-4-14(16)10-17/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyAPZFFCVYKLWSDM-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone

2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone (PubChem CID 62036122) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
PubChem CID62036122
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCCC(N)C2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)15(18)11-17-9-3-4-14(16)10-17/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyAPZFFCVYKLWSDM-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 56828796
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone (CID 62036122) is 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN2CCCC(N)C2)cc1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone?
The InChIKey is APZFFCVYKLWSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)15(18)11-17-9-3-4-14(16)10-17/h5-8,14H,2-4,9-11,16H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone?
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.85, 4 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-(4-ethylphenyl)ethanone is sourced from PubChem (CID 62036122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).