prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate

C10H18N2O2 — CID 139989019

IUPACprop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-4-5-14-10(13)12-8(2)6-11-7-9(12)3/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+
InChIKeyJVYCMPVNCTWPAQ-DTORHVGOSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds2

About prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate

prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 139989019) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID139989019
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameprop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
SMILESC=CCOC(=O)N1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-4-5-14-10(13)12-8(2)6-11-7-9(12)3/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+
InChIKeyJVYCMPVNCTWPAQ-DTORHVGOSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
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 prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate (CID 139989019) is prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate is C=CCOC(=O)N1[C@H](C)CNC[C@@H]1C.
What is the InChIKey of prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is JVYCMPVNCTWPAQ-DTORHVGOSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-14-10(13)12-8(2)6-11-7-9(12)3/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+.
What are the key properties of prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate?
prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 139989019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).