tert-butyl piperidine-1-carboxylate;pyridin-3-amine

C15H25N3O2 — CID 172593579

IUPACtert-butyl piperidine-1-carboxylate;pyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1cccnc1
InChIInChI=1S/C10H19NO2.C5H6N2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;6-5-2-1-3-7-4-5/h4-8H2,1-3H3;1-4H,6H2
InChIKeyWFGCOXRHHISQHB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.07
Rot. Bonds

About tert-butyl piperidine-1-carboxylate;pyridin-3-amine

tert-butyl piperidine-1-carboxylate;pyridin-3-amine (PubChem CID 172593579) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;pyridin-3-amine.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;pyridin-3-amine
PubChem CID172593579
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl piperidine-1-carboxylate;pyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1cccnc1
InChIInChI=1S/C10H19NO2.C5H6N2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;6-5-2-1-3-7-4-5/h4-8H2,1-3H3;1-4H,6H2
InChIKeyWFGCOXRHHISQHB-UHFFFAOYSA-N
XLogP3.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole
CID 164552923

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;pyridin-3-amine?
The IUPAC name of tert-butyl piperidine-1-carboxylate;pyridin-3-amine (CID 172593579) is tert-butyl piperidine-1-carboxylate;pyridin-3-amine.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;pyridin-3-amine?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;pyridin-3-amine is CC(C)(C)OC(=O)N1CCCCC1.Nc1cccnc1.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;pyridin-3-amine?
The InChIKey is WFGCOXRHHISQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C5H6N2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;6-5-2-1-3-7-4-5/h4-8H2,1-3H3;1-4H,6H2.
What are the key properties of tert-butyl piperidine-1-carboxylate;pyridin-3-amine?
tert-butyl piperidine-1-carboxylate;pyridin-3-amine has a molecular weight of 279.38 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;pyridin-3-amine is sourced from PubChem (CID 172593579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).