ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate

C13H24N2O2 — CID 143179538

IUPACethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
SMILESC#CCN1CCN(C(=O)OCCC)CC1.CC
InChIInChI=1S/C11H18N2O2.C2H6/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2;1-2/h1H,4-10H2,2H3;1-2H3
InChIKeyOPUVJMOROVEYDC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.81
Rot. Bonds3

About ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate

ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate (PubChem CID 143179538) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
PubChem CID143179538
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
SMILESC#CCN1CCN(C(=O)OCCC)CC1.CC
InChIInChI=1S/C11H18N2O2.C2H6/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2;1-2/h1H,4-10H2,2H3;1-2H3
InChIKeyOPUVJMOROVEYDC-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505
propyl azepane-1-carboxylate
CID 91585333
8-O-tert-butyl 1-O-ethyl 4,11-bis(prop-2-ynyl)-1,4,8,11-tetrazacyclotetradecane-1,8-dicarboxylate
CID 123353310
2-amino-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 60962945
butyl aziridine-1-carboxylate
CID 12641
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
propyl 4-sulfanylpiperidine-1-carboxylate
CID 142541970
3-amino-2-methoxy-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 106112176
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
(2R)-2-amino-3,3-dimethyl-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 113353381

Frequently Asked Questions

What is the IUPAC name of ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate?
The IUPAC name of ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate (CID 143179538) is ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate.
What is the SMILES notation for ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate?
The canonical SMILES for ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate is C#CCN1CCN(C(=O)OCCC)CC1.CC.
What is the InChIKey of ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate?
The InChIKey is OPUVJMOROVEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2;1-2/h1H,4-10H2,2H3;1-2H3.
What are the key properties of ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate?
ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate is sourced from PubChem (CID 143179538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).