4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one

C18H28N2O — CID 83052689

IUPAC4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1CCCCN1C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-8-16-11-6-7-14-20(16)18(21)13-12-17(19)15-9-4-3-5-10-15/h3-5,9-10,16-17H,2,6-8,11-14,19H2,1H3
InChIKeyCTIWEZQNEVCEJA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.65
Rot. Bonds6

About 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one

4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one (PubChem CID 83052689) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one
PubChem CID83052689
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1CCCCN1C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-8-16-11-6-7-14-20(16)18(21)13-12-17(19)15-9-4-3-5-10-15/h3-5,9-10,16-17H,2,6-8,11-14,19H2,1H3
InChIKeyCTIWEZQNEVCEJA-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-4-phenylbutan-1-one
CID 65320455
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one (CID 83052689) is 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one is CCCC1CCCCN1C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one?
The InChIKey is CTIWEZQNEVCEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-8-16-11-6-7-14-20(16)18(21)13-12-17(19)15-9-4-3-5-10-15/h3-5,9-10,16-17H,2,6-8,11-14,19H2,1H3.
What are the key properties of 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one?
4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one has a molecular weight of 288.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 83052689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).