tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine

C14H25N3O2 — CID 174800921

IUPACtert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCC(C)(C)OC=O.Cc1cc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H15N3.C5H10O2/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;1-5(2,3)7-4-6/h6,8,10H,2-5H2,1H3,(H,11,12);4H,1-3H3
InChIKeyOLHXSQPWDUVKGB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine

tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 174800921) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Nametert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID174800921
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCC(C)(C)OC=O.Cc1cc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H15N3.C5H10O2/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;1-5(2,3)7-4-6/h6,8,10H,2-5H2,1H3,(H,11,12);4H,1-3H3
InChIKeyOLHXSQPWDUVKGB-UHFFFAOYSA-N
XLogP2.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
CID 174622968
tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
CID 174736091
tert-butyl formate;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174506032
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394
tert-butyl formate;3-ethynyl-5-piperidin-4-yl-2H-indazole
CID 174695979
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 174585504
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
tert-butyl formate;1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanol
CID 174750957
tert-butyl formate;(3-chloro-4-piperidin-4-ylphenyl)methanol
CID 174928815
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 174800921) is tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine is CC(C)(C)OC=O.Cc1cc(C2CCNCC2)n[nH]1.
What is the InChIKey of tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is OLHXSQPWDUVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C5H10O2/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;1-5(2,3)7-4-6/h6,8,10H,2-5H2,1H3,(H,11,12);4H,1-3H3.
What are the key properties of tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine?
tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 267.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 174800921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).