[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone

C16H24N2O — CID 103441015

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2CN)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-15(13(3)8-11)16(19)18-7-6-12(2)9-14(18)10-17/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyQETMUQSAISRLCH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 103441015) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
PubChem CID103441015
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2CN)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-15(13(3)8-11)16(19)18-7-6-12(2)9-14(18)10-17/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyQETMUQSAISRLCH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107940252
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
CID 103440915
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 103352292
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 103441076

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone (CID 103441015) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2CN)c(C)c1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is QETMUQSAISRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-15(13(3)8-11)16(19)18-7-6-12(2)9-14(18)10-17/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 103441015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).