2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate

C15H29NO2Sn — CID 69120900

IUPAC2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
SMILESC=C(C1CCN(C(=O)OCC(C)C)CC1)[Sn](C)(C)C
InChIInChI=1S/C12H20NO2.3CH3.Sn/c1-4-11-5-7-13(8-6-11)12(14)15-9-10(2)3;;;;/h10-11H,1,5-9H2,2-3H3;3*1H3;
InChIKeyZWWXEZRQDUVXAJ-UHFFFAOYSA-N
MW374.11 g/mol
LogP3.92
Rot. Bonds4

About 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate

2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate (PubChem CID 69120900) has the molecular formula C15H29NO2Sn and a molecular weight of 374.11 g/mol. Its IUPAC name is 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
PubChem CID69120900
Molecular FormulaC15H29NO2Sn
Molecular Weight374.11 g/mol
Exact Mass375.12
IUPAC Name2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
SMILESC=C(C1CCN(C(=O)OCC(C)C)CC1)[Sn](C)(C)C
InChIInChI=1S/C12H20NO2.3CH3.Sn/c1-4-11-5-7-13(8-6-11)12(14)15-9-10(2)3;;;;/h10-11H,1,5-9H2,2-3H3;3*1H3;
InChIKeyZWWXEZRQDUVXAJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
CID 96523685
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
CID 56975200
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate (CID 69120900) is 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate is C=C(C1CCN(C(=O)OCC(C)C)CC1)[Sn](C)(C)C.
What is the InChIKey of 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
The InChIKey is ZWWXEZRQDUVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2.3CH3.Sn/c1-4-11-5-7-13(8-6-11)12(14)15-9-10(2)3;;;;/h10-11H,1,5-9H2,2-3H3;3*1H3;.
What are the key properties of 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate?
2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate has a molecular weight of 374.11 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 69120900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).