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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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).