tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate

C17H29NO2 — CID 134856938

IUPACtert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C
InChIInChI=1S/C17H29NO2/c1-7-9-14-12-11-13(3)18(15(14)10-8-2)16(19)20-17(4,5)6/h7-8,13-15H,1-2,9-12H2,3-6H3/t13-,14-,15-/m1/s1
InChIKeySMBXWHQNSUSVSJ-RBSFLKMASA-N
MW279.42 g/mol
LogP4.54
Rot. Bonds4

About tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate

tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate (PubChem CID 134856938) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
PubChem CID134856938
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nametert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C
InChIInChI=1S/C17H29NO2/c1-7-9-14-12-11-13(3)18(15(14)10-8-2)16(19)20-17(4,5)6/h7-8,13-15H,1-2,9-12H2,3-6H3/t13-,14-,15-/m1/s1
InChIKeySMBXWHQNSUSVSJ-RBSFLKMASA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate (CID 134856938) is tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate is C=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C.
What is the InChIKey of tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate?
The InChIKey is SMBXWHQNSUSVSJ-RBSFLKMASA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-9-14-12-11-13(3)18(15(14)10-8-2)16(19)20-17(4,5)6/h7-8,13-15H,1-2,9-12H2,3-6H3/t13-,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate?
tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate has a molecular weight of 279.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 134856938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).