1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

C12H23N5O — CID 62421335

IUPAC1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCN2CCC(OC)CC2)nn1
InChIInChI=1S/C12H23N5O/c1-13-9-11-10-17(15-14-11)8-7-16-5-3-12(18-2)4-6-16/h10,12-13H,3-9H2,1-2H3
InChIKeyXKYODJGTKOSGHN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds6

About 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 62421335) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID62421335
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCN2CCC(OC)CC2)nn1
InChIInChI=1S/C12H23N5O/c1-13-9-11-10-17(15-14-11)8-7-16-5-3-12(18-2)4-6-16/h10,12-13H,3-9H2,1-2H3
InChIKeyXKYODJGTKOSGHN-UHFFFAOYSA-N
XLogP0.11
TPSA55.21 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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
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
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
N,N-dimethyl-1-[1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]methanamine
CID 62430426
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 81469711

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (CID 62421335) is 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCN2CCC(OC)CC2)nn1.
What is the InChIKey of 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is XKYODJGTKOSGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-13-9-11-10-17(15-14-11)8-7-16-5-3-12(18-2)4-6-16/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62421335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).