N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine

C12H23N5 — CID 55113610

IUPACN-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)nn1)N1CCCCC1
InChIInChI=1S/C12H23N5/c1-11(17-6-4-3-5-7-17)8-13-9-12-10-16(2)15-14-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFOPRXFKNPVEMDB-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds5

About N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 55113610) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID55113610
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)nn1)N1CCCCC1
InChIInChI=1S/C12H23N5/c1-11(17-6-4-3-5-7-17)8-13-9-12-10-16(2)15-14-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFOPRXFKNPVEMDB-UHFFFAOYSA-N
XLogP0.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 55113610) is N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine is CC(CNCc1cn(C)nn1)N1CCCCC1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is FOPRXFKNPVEMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-11(17-6-4-3-5-7-17)8-13-9-12-10-16(2)15-14-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 55113610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).