2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine

C15H20N4O2 — CID 82569152

IUPAC2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCOc1ccc(-c2n[nH]c(C3CCCCN3)n2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-12-7-6-10(9-13(12)21-2)14-17-15(19-18-14)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,18,19)
InChIKeyLOMQKTAIVPLCGE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine

2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 82569152) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID82569152
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCOc1ccc(-c2n[nH]c(C3CCCCN3)n2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-12-7-6-10(9-13(12)21-2)14-17-15(19-18-14)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,18,19)
InChIKeyLOMQKTAIVPLCGE-UHFFFAOYSA-N
XLogP2.30
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916810
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
2-methoxy-4-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]phenol
CID 136816819
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)azocane
CID 114239965
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 82569152) is 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine is COc1ccc(-c2n[nH]c(C3CCCCN3)n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is LOMQKTAIVPLCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-12-7-6-10(9-13(12)21-2)14-17-15(19-18-14)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine?
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 288.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 82569152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).