N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine

C13H25N5 — CID 114222557

IUPACN-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine
SMILESCCCn1nncc1N1CCCC(C(C)NC)C1
InChIInChI=1S/C13H25N5/c1-4-7-18-13(9-15-16-18)17-8-5-6-12(10-17)11(2)14-3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyWYQBNVCZPIRELW-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.51
Rot. Bonds5

About N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine

N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine (PubChem CID 114222557) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine
PubChem CID114222557
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine
SMILESCCCn1nncc1N1CCCC(C(C)NC)C1
InChIInChI=1S/C13H25N5/c1-4-7-18-13(9-15-16-18)17-8-5-6-12(10-17)11(2)14-3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyWYQBNVCZPIRELW-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine (CID 114222557) is N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine is CCCn1nncc1N1CCCC(C(C)NC)C1.
What is the InChIKey of N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is WYQBNVCZPIRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-7-18-13(9-15-16-18)17-8-5-6-12(10-17)11(2)14-3/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine?
N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 251.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 114222557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).