1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one

C17H26N2O — CID 119374869

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-13-5-7-14(8-6-13)17(2,3)16(20)19-11-9-15(18)10-12-19/h5-8,15H,4,9-12,18H2,1-3H3
InChIKeyJKDOXTYHIKYRIG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one (PubChem CID 119374869) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
PubChem CID119374869
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-13-5-7-14(8-6-13)17(2,3)16(20)19-11-9-15(18)10-12-19/h5-8,15H,4,9-12,18H2,1-3H3
InChIKeyJKDOXTYHIKYRIG-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-ethylphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684662
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 80555880
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 82042424
1-[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 136587230
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one
CID 119374228
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one (CID 119374869) is 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one is CCc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one?
The InChIKey is JKDOXTYHIKYRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-5-7-14(8-6-13)17(2,3)16(20)19-11-9-15(18)10-12-19/h5-8,15H,4,9-12,18H2,1-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 119374869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).