3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine

C14H24N4 — CID 62762329

IUPAC3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCc2cnccn2)CC1
InChIInChI=1S/C14H24N4/c1-13-3-9-18(10-4-13)8-2-5-15-11-14-12-16-6-7-17-14/h6-7,12-13,15H,2-5,8-11H2,1H3
InChIKeyVAPZQRLZMBYXEP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.69
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine

3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine (PubChem CID 62762329) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
PubChem CID62762329
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCc2cnccn2)CC1
InChIInChI=1S/C14H24N4/c1-13-3-9-18(10-4-13)8-2-5-15-11-14-12-16-6-7-17-14/h6-7,12-13,15H,2-5,8-11H2,1H3
InChIKeyVAPZQRLZMBYXEP-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66134575
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115885360
N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112700188
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62763210
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759084
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine (CID 62762329) is 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine is CC1CCN(CCCNCc2cnccn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The InChIKey is VAPZQRLZMBYXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-3-9-18(10-4-13)8-2-5-15-11-14-12-16-6-7-17-14/h6-7,12-13,15H,2-5,8-11H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62762329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).