4-[4-(diethoxymethyl)triazol-1-yl]piperidine

C12H22N4O2 — CID 150718724

IUPAC4-[4-(diethoxymethyl)triazol-1-yl]piperidine
SMILESCCOC(OCC)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H22N4O2/c1-3-17-12(18-4-2)11-9-16(15-14-11)10-5-7-13-8-6-10/h9-10,12-13H,3-8H2,1-2H3
InChIKeyJPKMZXMDWNTVFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.27
Rot. Bonds6

About 4-[4-(diethoxymethyl)triazol-1-yl]piperidine

4-[4-(diethoxymethyl)triazol-1-yl]piperidine (PubChem CID 150718724) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[4-(diethoxymethyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(diethoxymethyl)triazol-1-yl]piperidine
PubChem CID150718724
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[4-(diethoxymethyl)triazol-1-yl]piperidine
SMILESCCOC(OCC)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H22N4O2/c1-3-17-12(18-4-2)11-9-16(15-14-11)10-5-7-13-8-6-10/h9-10,12-13H,3-8H2,1-2H3
InChIKeyJPKMZXMDWNTVFS-UHFFFAOYSA-N
XLogP1.27
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
CID 66213944
4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
CID 79909027
3-[4-(diethoxymethyl)triazol-1-yl]-1-methylpyrrolidin-2-one
CID 66213948
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole
CID 66215760
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-(1-cyclohexyltriazol-4-yl)propan-1-amine
CID 106227983
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethoxymethyl)triazol-1-yl]piperidine?
The IUPAC name of 4-[4-(diethoxymethyl)triazol-1-yl]piperidine (CID 150718724) is 4-[4-(diethoxymethyl)triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(diethoxymethyl)triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(diethoxymethyl)triazol-1-yl]piperidine is CCOC(OCC)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-[4-(diethoxymethyl)triazol-1-yl]piperidine?
The InChIKey is JPKMZXMDWNTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-17-12(18-4-2)11-9-16(15-14-11)10-5-7-13-8-6-10/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 4-[4-(diethoxymethyl)triazol-1-yl]piperidine?
4-[4-(diethoxymethyl)triazol-1-yl]piperidine has a molecular weight of 254.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethoxymethyl)triazol-1-yl]piperidine is sourced from PubChem (CID 150718724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).