(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine

C15H20N4O — CID 97136227

IUPAC(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
SMILESCOc1ccccc1-n1ncnc1[C@H]1CCCCN1C
InChIInChI=1S/C15H20N4O/c1-18-10-6-5-8-13(18)15-16-11-17-19(15)12-7-3-4-9-14(12)20-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t13-/m1/s1
InChIKeyDTFFUHWFFLPRID-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine

(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine (PubChem CID 97136227) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
PubChem CID97136227
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
SMILESCOc1ccccc1-n1ncnc1[C@H]1CCCCN1C
InChIInChI=1S/C15H20N4O/c1-18-10-6-5-8-13(18)15-16-11-17-19(15)12-7-3-4-9-14(12)20-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t13-/m1/s1
InChIKeyDTFFUHWFFLPRID-CYBMUJFWSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
(3S)-3-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 97131003
1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384454
5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine
CID 72920353
(2S)-2-[2-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 97147129
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-methyl-2-phenylazepane
CID 23447707
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
3-methoxy-6-(1-methylpiperidin-2-yl)pyridazine
CID 117105934
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine?
The IUPAC name of (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine (CID 97136227) is (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine.
What is the SMILES notation for (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine?
The canonical SMILES for (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine is COc1ccccc1-n1ncnc1[C@H]1CCCCN1C.
What is the InChIKey of (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine?
The InChIKey is DTFFUHWFFLPRID-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-10-6-5-8-13(18)15-16-11-17-19(15)12-7-3-4-9-14(12)20-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine?
(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine has a molecular weight of 272.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine is sourced from PubChem (CID 97136227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).