N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C14H24N4 — CID 112700188

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cnc(CNCCCN2CCCCC2)cn1
InChIInChI=1S/C14H24N4/c1-13-10-17-14(12-16-13)11-15-6-5-9-18-7-3-2-4-8-18/h10,12,15H,2-9,11H2,1H3
InChIKeyOITUGBIWEJTXQY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 112700188) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID112700188
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cnc(CNCCCN2CCCCC2)cn1
InChIInChI=1S/C14H24N4/c1-13-10-17-14(12-16-13)11-15-6-5-9-18-7-3-2-4-8-18/h10,12,15H,2-9,11H2,1H3
InChIKeyOITUGBIWEJTXQY-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107972077
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
5-[(5-methylpyrazin-2-yl)methylamino]pentan-1-ol
CID 62848095
N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 103778202
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112700198
N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine
CID 107006802
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 112700188) is N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is Cc1cnc(CNCCCN2CCCCC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is OITUGBIWEJTXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-10-17-14(12-16-13)11-15-6-5-9-18-7-3-2-4-8-18/h10,12,15H,2-9,11H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 112700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).