methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate

C9H15NO3 — CID 15778473

IUPACmethyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC)CC[C@H]1O
InChIInChI=1S/C9H15NO3/c1-3-7-6-10(9(12)13-2)5-4-8(7)11/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyCEHYTZOJKJWXQN-JGVFFNPUSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds1

About methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate

methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate (PubChem CID 15778473) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
PubChem CID15778473
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC)CC[C@H]1O
InChIInChI=1S/C9H15NO3/c1-3-7-6-10(9(12)13-2)5-4-8(7)11/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyCEHYTZOJKJWXQN-JGVFFNPUSA-N
XLogP0.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate (CID 15778473) is methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate is C=C[C@H]1CN(C(=O)OC)CC[C@H]1O.
What is the InChIKey of methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is CEHYTZOJKJWXQN-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7-6-10(9(12)13-2)5-4-8(7)11/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate?
methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 15778473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).