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

C12H23N5 — CID 114222624

IUPAC[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine
SMILESCCCn1nncc1N1CCC(C)(CN)CC1
InChIInChI=1S/C12H23N5/c1-3-6-17-11(9-14-15-17)16-7-4-12(2,10-13)5-8-16/h9H,3-8,10,13H2,1-2H3
InChIKeyPMMYZBKCZFOQTL-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.25
Rot. Bonds4

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

[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine (PubChem CID 114222624) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine
PubChem CID114222624
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine
SMILESCCCn1nncc1N1CCC(C)(CN)CC1
InChIInChI=1S/C12H23N5/c1-3-6-17-11(9-14-15-17)16-7-4-12(2,10-13)5-8-16/h9H,3-8,10,13H2,1-2H3
InChIKeyPMMYZBKCZFOQTL-UHFFFAOYSA-N
XLogP1.25
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine (CID 114222624) is [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine is CCCn1nncc1N1CCC(C)(CN)CC1.
What is the InChIKey of [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine?
The InChIKey is PMMYZBKCZFOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-6-17-11(9-14-15-17)16-7-4-12(2,10-13)5-8-16/h9H,3-8,10,13H2,1-2H3.
What are the key properties of [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine?
[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 114222624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).