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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
dimethyl 3-hydroxypiperidine-1,4-dicarboxylate
CID 122573790
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
methyl 3-(1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 83906912
2-[(3R,4R)-3-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 11448588
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate
CID 10986982
methyl (3S)-3-[(Z)-3-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 142072682

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).