3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C17H26N2O — CID 103495477

IUPAC3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCc2cccc(N)c2)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-8-10-19(11-9-15)17(20)7-6-14-4-3-5-16(18)12-14/h3-5,12-13,15H,6-11,18H2,1-2H3
InChIKeyWJFWQWIHBWLXID-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.10
Rot. Bonds4

About 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103495477) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103495477
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCc2cccc(N)c2)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-8-10-19(11-9-15)17(20)7-6-14-4-3-5-16(18)12-14/h3-5,12-13,15H,6-11,18H2,1-2H3
InChIKeyWJFWQWIHBWLXID-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103495477) is 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WJFWQWIHBWLXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-8-10-19(11-9-15)17(20)7-6-14-4-3-5-16(18)12-14/h3-5,12-13,15H,6-11,18H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103495477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).