prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate

C10H18N2O3 — CID 70468827

IUPACprop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(C)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-6-4-11(5-7-12)9(2)13/h3,9,13H,1,4-8H2,2H3
InChIKeySHWXSCXNYLNTTN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds3

About prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate

prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 70468827) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
PubChem CID70468827
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameprop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(C)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-6-4-11(5-7-12)9(2)13/h3,9,13H,1,4-8H2,2H3
InChIKeySHWXSCXNYLNTTN-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
prop-2-enyl 3-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 82243701
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
prop-2-enyl 4-[2-methoxy-1-(4-nitrophenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 139910537
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
4-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 1-O-prop-2-enyl piperazine-1,4-dicarboxylate
CID 126573329

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate (CID 70468827) is prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(C)O)CC1.
What is the InChIKey of prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is SHWXSCXNYLNTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-6-4-11(5-7-12)9(2)13/h3,9,13H,1,4-8H2,2H3.
What are the key properties of prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate?
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 70468827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).