ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine

C12H24N4O — CID 144883607

IUPACethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
SMILESCC.COCc1nncn1C1CCN(C)CC1
InChIInChI=1S/C10H18N4O.C2H6/c1-13-5-3-9(4-6-13)14-8-11-12-10(14)7-15-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyKVTQDFDQDJOYOT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.72
Rot. Bonds3

About ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine

ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine (PubChem CID 144883607) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
PubChem CID144883607
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Nameethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
SMILESCC.COCc1nncn1C1CCN(C)CC1
InChIInChI=1S/C10H18N4O.C2H6/c1-13-5-3-9(4-6-13)14-8-11-12-10(14)7-15-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyKVTQDFDQDJOYOT-UHFFFAOYSA-N
XLogP1.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
(2S)-2-(2-methoxyethyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129619466
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
4-[(2R)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621332
4-[4-[2-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 131936996
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,2,2-trimethyl-3-(4-morpholinyl)-1-propanamine
CID 70727384
Ethyl 1-(1-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxylate
CID 58493129
4-(3-Methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903775

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine?
The IUPAC name of ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine (CID 144883607) is ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine.
What is the SMILES notation for ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine?
The canonical SMILES for ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine is CC.COCc1nncn1C1CCN(C)CC1.
What is the InChIKey of ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine?
The InChIKey is KVTQDFDQDJOYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.C2H6/c1-13-5-3-9(4-6-13)14-8-11-12-10(14)7-15-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine?
ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine has a molecular weight of 240.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine is sourced from PubChem (CID 144883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).