[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine

C11H21N5 — CID 62437886

IUPAC[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCC1CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C11H21N5/c1-10-2-4-15(5-3-10)6-7-16-9-11(8-12)13-14-16/h9-10H,2-8,12H2,1H3
InChIKeyHXKBJNPLLHNZFL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.47
Rot. Bonds4

About [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 62437886) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID62437886
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCC1CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C11H21N5/c1-10-2-4-15(5-3-10)6-7-16-9-11(8-12)13-14-16/h9-10H,2-8,12H2,1H3
InChIKeyHXKBJNPLLHNZFL-UHFFFAOYSA-N
XLogP0.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 55073697
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
CID 55073403
[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
CID 63621831
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344
[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114410888
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N,N-dimethyl-1-[1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]methanamine
CID 62430426

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine (CID 62437886) is [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine is CC1CCN(CCn2cc(CN)nn2)CC1.
What is the InChIKey of [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is HXKBJNPLLHNZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10-2-4-15(5-3-10)6-7-16-9-11(8-12)13-14-16/h9-10H,2-8,12H2,1H3.
What are the key properties of [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62437886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).