tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate

C15H26N4O3 — CID 103915919

IUPACtert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate
SMILESCn1ncnc1COC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O3/c1-14(2,3)22-13(20)19-8-6-15(4,7-9-19)21-10-12-16-11-17-18(12)5/h11H,6-10H2,1-5H3
InChIKeyADAUNXNAZPAARM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.12
Rot. Bonds3

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

tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate (PubChem CID 103915919) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate
PubChem CID103915919
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate
SMILESCn1ncnc1COC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O3/c1-14(2,3)22-13(20)19-8-6-15(4,7-9-19)21-10-12-16-11-17-18(12)5/h11H,6-10H2,1-5H3
InChIKeyADAUNXNAZPAARM-UHFFFAOYSA-N
XLogP2.12
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 106940659
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 103915999
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate (CID 103915919) is tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate is Cn1ncnc1COC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is ADAUNXNAZPAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-14(2,3)22-13(20)19-8-6-15(4,7-9-19)21-10-12-16-11-17-18(12)5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 103915919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).