tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

C15H26N4O2 — CID 75443723

IUPACtert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)n1cnnc1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-10-16-17-13(19)12-7-6-8-18(9-12)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyMNEYEYWQSJHAQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (PubChem CID 75443723) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
PubChem CID75443723
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)n1cnnc1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-10-16-17-13(19)12-7-6-8-18(9-12)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyMNEYEYWQSJHAQJ-UHFFFAOYSA-N
XLogP2.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (CID 75443723) is tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is CC(C)n1cnnc1C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The InChIKey is MNEYEYWQSJHAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)19-10-16-17-13(19)12-7-6-8-18(9-12)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 75443723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).