1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C18H28N2O — CID 43434832

IUPAC1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1ccc(CNC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-5-7-16(8-6-15)13-19-17-9-11-20(12-10-17)18(21)14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyZIZOBGBKVZCADX-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 43434832) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID43434832
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1ccc(CNC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-5-7-16(8-6-15)13-19-17-9-11-20(12-10-17)18(21)14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyZIZOBGBKVZCADX-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
4-[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methyl]benzonitrile
CID 43747785
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
1-[4-[(2-hydroxy-5-methylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 63324768
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
1-[(4-tert-butylphenyl)methyl]-2-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]guanidine
CID 111977980

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 43434832) is 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is CCc1ccc(CNC2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZIZOBGBKVZCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15-5-7-16(8-6-15)13-19-17-9-11-20(12-10-17)18(21)14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 43434832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).