2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide

C14H21N3O — CID 103441332

IUPAC2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2)C(CN)C1
InChIInChI=1S/C14H21N3O/c1-11-7-8-17(13(9-11)10-15)14(18)16-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18)
InChIKeyMZOPJBBROXOUCR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds2

About 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide

2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide (PubChem CID 103441332) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
PubChem CID103441332
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2)C(CN)C1
InChIInChI=1S/C14H21N3O/c1-11-7-8-17(13(9-11)10-15)14(18)16-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18)
InChIKeyMZOPJBBROXOUCR-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 103441340
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 103441183
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
(1S,5S,9S)-2-N,6-N,10-N-triphenyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
CID 97299719
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 103352598
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103440844
2-benzyl-4-methylpiperidine-1-carboxylic acid
CID 175595990

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide (CID 103441332) is 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccccc2)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is MZOPJBBROXOUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-7-8-17(13(9-11)10-15)14(18)16-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 103441332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).