prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate

C10H17NO3 — CID 102958953

IUPACprop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-8(2)9(12)7-11/h3,8-9,12H,1,4-7H2,2H3
InChIKeyRHQANZGLGFOMJF-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds2

About prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate

prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate (PubChem CID 102958953) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate
PubChem CID102958953
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameprop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-8(2)9(12)7-11/h3,8-9,12H,1,4-7H2,2H3
InChIKeyRHQANZGLGFOMJF-UHFFFAOYSA-N
XLogP1.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Allyloxycarbonyl-4-hydroxymethylpiperidine
CID 15117273
1-Allyloxycarbonyl-4-(1-hydroxypropyl)piperidine
CID 15117274
Tert-butyl 4-(allyloxymethyl)piperidine-1-carboxylate
CID 57372945
Tert-butyl 3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58091442
Prop-1-en-2-yl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 68383220
2-Methylpropyl 3-hydroxy-4-methylpiperidine-1-carboxylate
CID 69947916
tert-butyl (3S)-3-prop-2-enoxypiperidine-1-carboxylate
CID 91388176
Tert-butyl 4-(1-hydroxyprop-2-en-1-yl)piperidine-1-carboxylate
CID 129986924
1-O-tert-butyl 4-O-prop-2-enyl 3-hydroxypiperidine-1,4-dicarboxylate
CID 139783692
ethyl (3S,4R)-3-hydroxy-4-methylpiperidine-1-carboxylate
CID 163773695
Prop-2-en-1-yl 3-hydroxypiperidine-1-carboxylate
CID 64281786
Prop-2-enyl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 64282977

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate (CID 102958953) is prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate is C=CCOC(=O)N1CCC(C)C(O)C1.
What is the InChIKey of prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate?
The InChIKey is RHQANZGLGFOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-8(2)9(12)7-11/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate?
prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxy-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 102958953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).