1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine

C13H24N4O — CID 118230662

IUPAC1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-7-5-11(6-8-16)17-10-14-15-12(17)9-18-4/h10-11H,5-9H2,1-4H3
InChIKeyHXDDMXWYCXZHDR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.86
Rot. Bonds3

About 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine

1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (PubChem CID 118230662) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
PubChem CID118230662
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-7-5-11(6-8-16)17-10-14-15-12(17)9-18-4/h10-11H,5-9H2,1-4H3
InChIKeyHXDDMXWYCXZHDR-UHFFFAOYSA-N
XLogP1.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 97204642
4-[[(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]morpholine
CID 124872517
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
(3S)-1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 129612410
(3R)-1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 129612412
4-[(2R)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621332
1-(2-Methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 131905368
4-[4-[2-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 131936996

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The IUPAC name of 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (CID 118230662) is 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is COCc1nncn1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The InChIKey is HXDDMXWYCXZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)16-7-5-11(6-8-16)17-10-14-15-12(17)9-18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine has a molecular weight of 252.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is sourced from PubChem (CID 118230662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).