ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate

C14H26N2O2 — CID 79863119

IUPACethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCCC1(C)C
InChIInChI=1S/C14H26N2O2/c1-4-18-13(17)11-10-15-8-9-16(11)12-6-5-7-14(12,2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyZDSLJGBDTOGDCG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

About ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate

ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate (PubChem CID 79863119) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate
PubChem CID79863119
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCCC1(C)C
InChIInChI=1S/C14H26N2O2/c1-4-18-13(17)11-10-15-8-9-16(11)12-6-5-7-14(12,2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyZDSLJGBDTOGDCG-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
(2S)-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 130678144
ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
CID 107449520
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
CID 57072792
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
CID 79162464
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperazine-2-carboxylate
CID 83059443
ethyl 1-[(2S)-2-methylpiperazin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 82755269
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate (CID 79863119) is ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C1CCCC1(C)C.
What is the InChIKey of ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate?
The InChIKey is ZDSLJGBDTOGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-18-13(17)11-10-15-8-9-16(11)12-6-5-7-14(12,2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate?
ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate is sourced from PubChem (CID 79863119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).