1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone

C18H28N2O — CID 43223361

IUPAC1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-5-7-17(8-6-16)14(3)19-18-9-11-20(12-10-18)15(4)21/h5-8,13-14,18-19H,9-12H2,1-4H3
InChIKeyLUKVQRIVTKMWJK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43223361) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43223361
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-5-7-17(8-6-16)14(3)19-18-9-11-20(12-10-18)15(4)21/h5-8,13-14,18-19H,9-12H2,1-4H3
InChIKeyLUKVQRIVTKMWJK-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone (CID 43223361) is 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is LUKVQRIVTKMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16-5-7-17(8-6-16)14(3)19-18-9-11-20(12-10-18)15(4)21/h5-8,13-14,18-19H,9-12H2,1-4H3.
What are the key properties of 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43223361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).