prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate

C10H17NO3 — CID 145294424

IUPACprop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC[C@H]1CO
InChIInChI=1S/C10H17NO3/c1-2-7-14-10(13)11-6-4-3-5-9(11)8-12/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyIZBCBRJBNUHVOP-VIFPVBQESA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds3

About prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate

prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 145294424) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID145294424
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameprop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC[C@H]1CO
InChIInChI=1S/C10H17NO3/c1-2-7-14-10(13)11-6-4-3-5-9(11)8-12/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyIZBCBRJBNUHVOP-VIFPVBQESA-N
XLogP1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
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

prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 138983416
2-(2-Hydroxy-ethyl)-piperidine-1-carboxylic acid allyl ester
CID 9834336
Prop-2-enyl 2-hydroxypiperidine-1-carboxylate
CID 14337537
Prop-2-enyl 2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59734228
prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate
CID 23189741
Prop-2-en-1-yl 3-hydroxypiperidine-1-carboxylate
CID 64281786
Prop-2-enyl 2-(hydroxymethyl)piperidine-1-carboxylate
CID 64281787
prop-2-enyl N-cyclohexyl-N-(2-hydroxyethyl)carbamate
CID 64282783
Prop-2-enyl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 64282977
prop-2-enyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 107224891
Prop-2-enyl 2-(hydroxymethyl)azepane-1-carboxylate
CID 116636463

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate (CID 145294424) is prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate is C=CCOC(=O)N1CCCC[C@H]1CO.
What is the InChIKey of prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is IZBCBRJBNUHVOP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-7-14-10(13)11-6-4-3-5-9(11)8-12/h2,9,12H,1,3-8H2/t9-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 145294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).