N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide

C13H19N3O — CID 110482330

IUPACN-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H19N3O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h1-4,10,15H,5-9,14H2,(H,16,17)
InChIKeyBBGPIGCAXNOJKD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.08
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide

N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide (PubChem CID 110482330) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
PubChem CID110482330
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H19N3O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h1-4,10,15H,5-9,14H2,(H,16,17)
InChIKeyBBGPIGCAXNOJKD-UHFFFAOYSA-N
XLogP1.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide (CID 110482330) is N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide is NCc1ccccc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BBGPIGCAXNOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h1-4,10,15H,5-9,14H2,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide?
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 110482330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).