3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one

C16H24N2O — CID 62937432

IUPAC3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC1(C)CCN(C(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)8-10-18(11-9-16)15(19)14(12-17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyJTKDMSYTAOOIRV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one

3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one (PubChem CID 62937432) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
PubChem CID62937432
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC1(C)CCN(C(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)8-10-18(11-9-16)15(19)14(12-17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyJTKDMSYTAOOIRV-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415
(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597324
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
CID 107218759
4-methyl-1-(2-phenylbutanoyl)piperidine-4-carbothioamide
CID 107161116
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
1-(4-hydroxy-4-methylazepan-1-yl)-2-phenylbutan-1-one
CID 107406380

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one (CID 62937432) is 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one is CC1(C)CCN(C(=O)C(CN)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is JTKDMSYTAOOIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)8-10-18(11-9-16)15(19)14(12-17)13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3.
What are the key properties of 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one?
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 62937432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).