ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate

C12H20N2O2 — CID 15538630

IUPACethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2=CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-7-13(8-10-14)11-5-3-4-6-11/h5H,2-4,6-10H2,1H3
InChIKeyULKJZBRLCQPSMO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.83
Rot. Bonds2

About ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate

ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate (PubChem CID 15538630) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate
PubChem CID15538630
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2=CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-7-13(8-10-14)11-5-3-4-6-11/h5H,2-4,6-10H2,1H3
InChIKeyULKJZBRLCQPSMO-UHFFFAOYSA-N
XLogP1.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate (CID 15538630) is ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2=CCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate?
The InChIKey is ULKJZBRLCQPSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-16-12(15)14-9-7-13(8-10-14)11-5-3-4-6-11/h5H,2-4,6-10H2,1H3.
What are the key properties of ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate?
ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate is sourced from PubChem (CID 15538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).