1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone

C15H22N2O — CID 99607444

IUPAC1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@@H](N)C[C@H]2C)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)10-15(18)17-7-6-14(16)9-12(17)2/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3/t12-,14-/m1/s1
InChIKeyZBQUKHKHLPKHRB-TZMCWYRMSA-N
MW246.35 g/mol
LogP1.88
Rot. Bonds2

About 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 99607444) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID99607444
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@@H](N)C[C@H]2C)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)10-15(18)17-7-6-14(16)9-12(17)2/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3/t12-,14-/m1/s1
InChIKeyZBQUKHKHLPKHRB-TZMCWYRMSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 124691937
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
CID 124683352
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114427184
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124691321
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124689344
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 99607444) is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CC[C@@H](N)C[C@H]2C)c1.
What is the InChIKey of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is ZBQUKHKHLPKHRB-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)10-15(18)17-7-6-14(16)9-12(17)2/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 99607444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).