2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone

C14H20N2O — CID 24694891

IUPAC2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCCCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11-7-5-6-10-16(11)14(17)13(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10,15H2,1H3
InChIKeyNHEIHCUBZIFBJT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone

2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone (PubChem CID 24694891) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
PubChem CID24694891
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCCCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11-7-5-6-10-16(11)14(17)13(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10,15H2,1H3
InChIKeyNHEIHCUBZIFBJT-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116
(2S)-2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897452
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone (CID 24694891) is 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone is CC1CCCCN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is NHEIHCUBZIFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-7-5-6-10-16(11)14(17)13(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10,15H2,1H3.
What are the key properties of 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone?
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 24694891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).