tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate

C15H26N4O2 — CID 66486974

IUPACtert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)12-16-13(18-17-12)11-6-8-19(9-7-11)14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyCHHVBLMRYAZVRQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate (PubChem CID 66486974) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
PubChem CID66486974
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)12-16-13(18-17-12)11-6-8-19(9-7-11)14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyCHHVBLMRYAZVRQ-UHFFFAOYSA-N
XLogP3.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-[3-[1-(2-chloropropanoyl)piperidin-4-yl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 146098685
tert-butyl 4-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 66486775
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[4,5-bis(2-iodo-2-pyrrolidin-1-ylethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 123454320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate (CID 66486974) is tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate is CC(C)c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The InChIKey is CHHVBLMRYAZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)12-16-13(18-17-12)11-6-8-19(9-7-11)14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).