2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone

C15H22N2O — CID 86784489

IUPAC2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCN(C(=O)C(N)c2ccccc2)CC1C
InChIInChI=1S/C15H22N2O/c1-11-8-9-17(10-12(11)2)15(18)14(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyQNBVJVUNGNGMDR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.19
Rot. Bonds2

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

2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone (PubChem CID 86784489) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
PubChem CID86784489
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCN(C(=O)C(N)c2ccccc2)CC1C
InChIInChI=1S/C15H22N2O/c1-11-8-9-17(10-12(11)2)15(18)14(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyQNBVJVUNGNGMDR-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2S)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 104897194
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 61156147
(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone (CID 86784489) is 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone is CC1CCN(C(=O)C(N)c2ccccc2)CC1C.
What is the InChIKey of 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is QNBVJVUNGNGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-9-17(10-12(11)2)15(18)14(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone?
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 86784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).