tert-butyl formate;4-piperazin-1-ylpyridin-3-amine

C14H24N4O2 — CID 174601786

IUPACtert-butyl formate;4-piperazin-1-ylpyridin-3-amine
SMILESCC(C)(C)OC=O.Nc1cnccc1N1CCNCC1
InChIInChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3
InChIKeyTWKZADFCMVDIKK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds2

About tert-butyl formate;4-piperazin-1-ylpyridin-3-amine

tert-butyl formate;4-piperazin-1-ylpyridin-3-amine (PubChem CID 174601786) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl formate;4-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;4-piperazin-1-ylpyridin-3-amine
PubChem CID174601786
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl formate;4-piperazin-1-ylpyridin-3-amine
SMILESCC(C)(C)OC=O.Nc1cnccc1N1CCNCC1
InChIInChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3
InChIKeyTWKZADFCMVDIKK-UHFFFAOYSA-N
XLogP1.03
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4-diazepan-1-yl)pyridin-3-amine
CID 89066011
tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
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CID 87693406
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
tert-butyl formate;2-methoxy-5-piperazin-1-ylaniline
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1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
tert-butyl formate;3-fluoro-4-[[3-(4-piperazin-1-ylphenyl)-4-pyridinyl]oxy]aniline
CID 157133400
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
CID 175327380
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
CID 174458308

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The IUPAC name of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine (CID 174601786) is tert-butyl formate;4-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine is CC(C)(C)OC=O.Nc1cnccc1N1CCNCC1.
What is the InChIKey of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The InChIKey is TWKZADFCMVDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
tert-butyl formate;4-piperazin-1-ylpyridin-3-amine has a molecular weight of 280.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 174601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).