tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane

C17H30N4O2 — CID 144686665

IUPACtert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(c2cnc(N)c(N)c2)CC1
InChIInChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11;1-2/h8-10H,4-7,16H2,1-3H3,(H2,17,18);1-2H3
InChIKeyXAZSMEMFPYUCEM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane

tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane (PubChem CID 144686665) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
PubChem CID144686665
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(c2cnc(N)c(N)c2)CC1
InChIInChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11;1-2/h8-10H,4-7,16H2,1-3H3,(H2,17,18);1-2H3
InChIKeyXAZSMEMFPYUCEM-UHFFFAOYSA-N
XLogP3.39
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 170459039
tert-butyl 4-[6-[(3-aminophenoxy)methyl]-3-pyridinyl]piperidine-1-carboxylate
CID 67083057

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane (CID 144686665) is tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(c2cnc(N)c(N)c2)CC1.
What is the InChIKey of tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane?
The InChIKey is XAZSMEMFPYUCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11;1-2/h8-10H,4-7,16H2,1-3H3,(H2,17,18);1-2H3.
What are the key properties of tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane?
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane has a molecular weight of 322.45 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 144686665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).