1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone

C16H24N2O — CID 115269778

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-12-6-4-5-7-13(12)10-15(19)18-9-8-14(17)16(2,3)11-18/h4-7,14H,8-11,17H2,1-3H3
InChIKeyNEVDZYNDRMBEBB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds2

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

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 115269778) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID115269778
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-12-6-4-5-7-13(12)10-15(19)18-9-8-14(17)16(2,3)11-18/h4-7,14H,8-11,17H2,1-3H3
InChIKeyNEVDZYNDRMBEBB-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115276695
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 120818166
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 120815207
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 120815129

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone (CID 115269778) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is NEVDZYNDRMBEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-4-5-7-13(12)10-15(19)18-9-8-14(17)16(2,3)11-18/h4-7,14H,8-11,17H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 115269778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).