[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine

C12H23N5O — CID 106587344

IUPAC[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESCOCC1CCCN(CCn2cc(CN)nn2)C1
InChIInChI=1S/C12H23N5O/c1-18-10-11-3-2-4-16(8-11)5-6-17-9-12(7-13)14-15-17/h9,11H,2-8,10,13H2,1H3
InChIKeyMZBJIUCTWVZJCY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds6

About [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine

[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine (PubChem CID 106587344) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
PubChem CID106587344
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESCOCC1CCCN(CCn2cc(CN)nn2)C1
InChIInChI=1S/C12H23N5O/c1-18-10-11-3-2-4-16(8-11)5-6-17-9-12(7-13)14-15-17/h9,11H,2-8,10,13H2,1H3
InChIKeyMZBJIUCTWVZJCY-UHFFFAOYSA-N
XLogP0.10
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 64581206
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 55073697
[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
CID 63621831
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine (CID 106587344) is [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine is COCC1CCCN(CCn2cc(CN)nn2)C1.
What is the InChIKey of [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine?
The InChIKey is MZBJIUCTWVZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-18-10-11-3-2-4-16(8-11)5-6-17-9-12(7-13)14-15-17/h9,11H,2-8,10,13H2,1H3.
What are the key properties of [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine?
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 106587344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).