N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine

C13H22N4 — CID 62586883

IUPACN-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H22N4/c1-2-5-14-9-12-4-3-8-17(11-12)13-10-15-6-7-16-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3
InChIKeyXASLRHMYDXMPDG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.69
Rot. Bonds5

About N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine

N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 62586883) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID62586883
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H22N4/c1-2-5-14-9-12-4-3-8-17(11-12)13-10-15-6-7-16-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3
InChIKeyXASLRHMYDXMPDG-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-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

2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910
2-[(3S)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840909
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
CID 124559977
N-methyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095070
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine (CID 62586883) is N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine is CCCNCC1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is XASLRHMYDXMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-14-9-12-4-3-8-17(11-12)13-10-15-6-7-16-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3.
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine?
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62586883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).