1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide

C15H23N3O — CID 107105854

IUPAC1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C)cccc2CN)C1
InChIInChI=1S/C15H23N3O/c1-11-5-3-6-12(9-16)14(11)18-8-4-7-13(10-18)15(19)17-2/h3,5-6,13H,4,7-10,16H2,1-2H3,(H,17,19)
InChIKeyTZHGMPCKSHIGPV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide

1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 107105854) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
PubChem CID107105854
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C)cccc2CN)C1
InChIInChI=1S/C15H23N3O/c1-11-5-3-6-12(9-16)14(11)18-8-4-7-13(10-18)15(19)17-2/h3,5-6,13H,4,7-10,16H2,1-2H3,(H,17,19)
InChIKeyTZHGMPCKSHIGPV-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide (CID 107105854) is 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(C)cccc2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is TZHGMPCKSHIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-3-6-12(9-16)14(11)18-8-4-7-13(10-18)15(19)17-2/h3,5-6,13H,4,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide?
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107105854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).