1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide

C16H25N3O — CID 114478612

IUPAC1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(CN)cc2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-9-13(10-17)3-4-15(12)11-19-7-5-14(6-8-19)16(20)18-2/h3-4,9,14H,5-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyLIEXKJDQHHHWSY-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.41
Rot. Bonds4

About 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide

1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 114478612) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID114478612
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(CN)cc2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-9-13(10-17)3-4-15(12)11-19-7-5-14(6-8-19)16(20)18-2/h3-4,9,14H,5-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyLIEXKJDQHHHWSY-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79582712
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
N-methyl-1-[[6-(methylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55046042

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 114478612) is 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2ccc(CN)cc2C)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LIEXKJDQHHHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-13(10-17)3-4-15(12)11-19-7-5-14(6-8-19)16(20)18-2/h3-4,9,14H,5-8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114478612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).