tert-butyl formate;6-piperazin-1-yl-1H-indole

C17H25N3O2 — CID 175263131

IUPACtert-butyl formate;6-piperazin-1-yl-1H-indole
SMILESCC(C)(C)OC=O.c1cc2ccc(N3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H15N3.C5H10O2/c1-2-11(15-7-5-13-6-8-15)9-12-10(1)3-4-14-12;1-5(2,3)7-4-6/h1-4,9,13-14H,5-8H2;4H,1-3H3
InChIKeyZINMUYSQRDMECG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl formate;6-piperazin-1-yl-1H-indole

tert-butyl formate;6-piperazin-1-yl-1H-indole (PubChem CID 175263131) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is tert-butyl formate;6-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Nametert-butyl formate;6-piperazin-1-yl-1H-indole
PubChem CID175263131
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nametert-butyl formate;6-piperazin-1-yl-1H-indole
SMILESCC(C)(C)OC=O.c1cc2ccc(N3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H15N3.C5H10O2/c1-2-11(15-7-5-13-6-8-15)9-12-10(1)3-4-14-12;1-5(2,3)7-4-6/h1-4,9,13-14H,5-8H2;4H,1-3H3
InChIKeyZINMUYSQRDMECG-UHFFFAOYSA-N
XLogP2.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.54
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

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CID 175192422
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CID 159699991
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(2-bromo-5-piperazin-1-ylphenyl)methanol;tert-butyl formate
CID 174928802
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine
CID 161439128
tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
CID 159945137
5-(1,4-diazepan-1-yl)-1H-indole
CID 83972060
tert-butyl formate;5-piperazin-1-ylpyridine-2-carbonitrile
CID 158770552
tert-butyl formate;6-fluoro-5-methyl-1H-indole
CID 174455611
7-piperazin-1-yl-1H-quinoline-4-thione
CID 19075055

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;6-piperazin-1-yl-1H-indole?
The IUPAC name of tert-butyl formate;6-piperazin-1-yl-1H-indole (CID 175263131) is tert-butyl formate;6-piperazin-1-yl-1H-indole.
What is the SMILES notation for tert-butyl formate;6-piperazin-1-yl-1H-indole?
The canonical SMILES for tert-butyl formate;6-piperazin-1-yl-1H-indole is CC(C)(C)OC=O.c1cc2ccc(N3CCNCC3)cc2[nH]1.
What is the InChIKey of tert-butyl formate;6-piperazin-1-yl-1H-indole?
The InChIKey is ZINMUYSQRDMECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C5H10O2/c1-2-11(15-7-5-13-6-8-15)9-12-10(1)3-4-14-12;1-5(2,3)7-4-6/h1-4,9,13-14H,5-8H2;4H,1-3H3.
What are the key properties of tert-butyl formate;6-piperazin-1-yl-1H-indole?
tert-butyl formate;6-piperazin-1-yl-1H-indole has a molecular weight of 303.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;6-piperazin-1-yl-1H-indole is sourced from PubChem (CID 175263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).