tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate

C17H30N4O2Sn — CID 67958144

IUPACtert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc([Sn](C)(C)C)n2)CC1
InChIInChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)17-11-4-8-18(9-5-11)12-10-15-6-7-16-12;;;;/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,19);3*1H3;
InChIKeyROJJCRQGFQTBRY-UHFFFAOYSA-N
MW441.16 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate (PubChem CID 67958144) has the molecular formula C17H30N4O2Sn and a molecular weight of 441.16 g/mol. Its IUPAC name is tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate
PubChem CID67958144
Molecular FormulaC17H30N4O2Sn
Molecular Weight441.16 g/mol
Exact Mass442.14
IUPAC Nametert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc([Sn](C)(C)C)n2)CC1
InChIInChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)17-11-4-8-18(9-5-11)12-10-15-6-7-16-12;;;;/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,19);3*1H3;
InChIKeyROJJCRQGFQTBRY-UHFFFAOYSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate (CID 67958144) is tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cncc([Sn](C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is ROJJCRQGFQTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)17-11-4-8-18(9-5-11)12-10-15-6-7-16-12;;;;/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,19);3*1H3;.
What are the key properties of tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 441.16 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-trimethylstannylpyrazin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 67958144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).