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

C13H23N3O2 — CID 174736091

IUPACtert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
SMILESCC(C)(C)OC=O.c1n[nH]cc1C1CCNCC1
InChIInChI=1S/C8H13N3.C5H10O2/c1-3-9-4-2-7(1)8-5-10-11-6-8;1-5(2,3)7-4-6/h5-7,9H,1-4H2,(H,10,11);4H,1-3H3
InChIKeySYBLXHJXCJAEQJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.83
Rot. Bonds2

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

tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine (PubChem CID 174736091) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Nametert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
PubChem CID174736091
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
SMILESCC(C)(C)OC=O.c1n[nH]cc1C1CCNCC1
InChIInChI=1S/C8H13N3.C5H10O2/c1-3-9-4-2-7(1)8-5-10-11-6-8;1-5(2,3)7-4-6/h5-7,9H,1-4H2,(H,10,11);4H,1-3H3
InChIKeySYBLXHJXCJAEQJ-UHFFFAOYSA-N
XLogP1.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 174800921
tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
CID 174622968
tert-butyl formate;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174506032
tert-butyl formate;3-ethynyl-5-piperidin-4-yl-2H-indazole
CID 174695979
tert-butyl formate;4-[(4-piperidin-4-ylphenyl)methyl]morpholine
CID 175264705
tert-butyl formate;1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanol
CID 174750957
5-bromoazepan-4-one;tert-butyl formate
CID 159951775
1-(piperidin-4-ylmethyl)-4-(1H-pyrazol-4-yl)piperidine
CID 120847965
tert-butyl formate;(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 174585504
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
tert-butyl formate;1-piperidin-4-ylethanamine
CID 174560840

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine (CID 174736091) is tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine is CC(C)(C)OC=O.c1n[nH]cc1C1CCNCC1.
What is the InChIKey of tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine?
The InChIKey is SYBLXHJXCJAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C5H10O2/c1-3-9-4-2-7(1)8-5-10-11-6-8;1-5(2,3)7-4-6/h5-7,9H,1-4H2,(H,10,11);4H,1-3H3.
What are the key properties of tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine?
tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine has a molecular weight of 253.35 g/mol, XLogP of 1.83, 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-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 174736091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).