1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one

C18H28N2O — CID 119378198

IUPAC1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)14(3)11-18(21)20-10-4-5-17(19)12-20/h6-9,13-14,17H,4-5,10-12,19H2,1-3H3
InChIKeyYHTWXEZTWQVZFX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.25
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one

1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 119378198) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
PubChem CID119378198
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)14(3)11-18(21)20-10-4-5-17(19)12-20/h6-9,13-14,17H,4-5,10-12,19H2,1-3H3
InChIKeyYHTWXEZTWQVZFX-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
CID 119380064
1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 119167632
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
N-(2-aminoethyl)-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxamide
CID 119480003
1-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110633160
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119635935
3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-ethylphenyl)butan-1-one
CID 119593639

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one (CID 119378198) is 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one is CC(C)c1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is YHTWXEZTWQVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)14(3)11-18(21)20-10-4-5-17(19)12-20/h6-9,13-14,17H,4-5,10-12,19H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one?
1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 119378198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).