ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate

C16H30N2O2 — CID 107449520

IUPACethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCCC(C(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)15-11-17-8-9-18(15)14-7-5-6-13(10-14)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyAFJJHAJRQWQLEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds4

About ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate

ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate (PubChem CID 107449520) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
PubChem CID107449520
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCCC(C(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)15-11-17-8-9-18(15)14-7-5-6-13(10-14)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyAFJJHAJRQWQLEY-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
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ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
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ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate (CID 107449520) is ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C1CCCC(C(C)C)C1.
What is the InChIKey of ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate?
The InChIKey is AFJJHAJRQWQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-16(19)15-11-17-8-9-18(15)14-7-5-6-13(10-14)12(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate?
ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate is sourced from PubChem (CID 107449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).