tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane

C19H32N4O2 — CID 165132372

IUPACtert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)cnc2N)CC1
InChIInChI=1S/C17H26N4O2.C2H6/c1-17(2,3)23-16(22)21-8-6-20(7-9-21)14-10-13(12-4-5-12)11-19-15(14)18;1-2/h10-12H,4-9H2,1-3H3,(H2,18,19);1-2H3
InChIKeyCJYBRSHUWVOGSS-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane

tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane (PubChem CID 165132372) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
PubChem CID165132372
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)cnc2N)CC1
InChIInChI=1S/C17H26N4O2.C2H6/c1-17(2,3)23-16(22)21-8-6-20(7-9-21)14-10-13(12-4-5-12)11-19-15(14)18;1-2/h10-12H,4-9H2,1-3H3,(H2,18,19);1-2H3
InChIKeyCJYBRSHUWVOGSS-UHFFFAOYSA-N
XLogP3.62
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine
CID 162101147
tert-butyl 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 11695402
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(5-aminopyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 114518320
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 4-(4-amino-2,6-dichlorophenyl)piperazine-1-carboxylate
CID 18007686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane (CID 165132372) is tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)cnc2N)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane?
The InChIKey is CJYBRSHUWVOGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2H6/c1-17(2,3)23-16(22)21-8-6-20(7-9-21)14-10-13(12-4-5-12)11-19-15(14)18;1-2/h10-12H,4-9H2,1-3H3,(H2,18,19);1-2H3.
What are the key properties of tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane has a molecular weight of 348.49 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 165132372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).