tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate

C15H29NO2Sn — CID 59821126

IUPACtert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
SMILESC=C(C1CCN(C(=O)OC(C)(C)C)CC1)[Sn](C)(C)C
InChIInChI=1S/C12H20NO2.3CH3.Sn/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;
InChIKeyPUZQSPGVJYLWJN-UHFFFAOYSA-N
MW374.11 g/mol
LogP4.07
Rot. Bonds2

About tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate

tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate (PubChem CID 59821126) has the molecular formula C15H29NO2Sn and a molecular weight of 374.11 g/mol. Its IUPAC name is tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
PubChem CID59821126
Molecular FormulaC15H29NO2Sn
Molecular Weight374.11 g/mol
Exact Mass375.12
IUPAC Nametert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
SMILESC=C(C1CCN(C(=O)OC(C)(C)C)CC1)[Sn](C)(C)C
InChIInChI=1S/C12H20NO2.3CH3.Sn/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;
InChIKeyPUZQSPGVJYLWJN-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate (CID 59821126) is tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate is C=C(C1CCN(C(=O)OC(C)(C)C)CC1)[Sn](C)(C)C.
What is the InChIKey of tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The InChIKey is PUZQSPGVJYLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2.3CH3.Sn/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;.
What are the key properties of tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate has a molecular weight of 374.11 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 59821126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).