ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate

C17H32N2O2 — CID 65421000

IUPACethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N2CCN(C)CC2)CCCCC1CC
InChIInChI=1S/C17H32N2O2/c1-4-15-8-6-7-9-17(15,14-16(20)21-5-2)19-12-10-18(3)11-13-19/h15H,4-14H2,1-3H3
InChIKeyRYJJWSQNCCTORA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate

ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate (PubChem CID 65421000) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
PubChem CID65421000
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N2CCN(C)CC2)CCCCC1CC
InChIInChI=1S/C17H32N2O2/c1-4-15-8-6-7-9-17(15,14-16(20)21-5-2)19-12-10-18(3)11-13-19/h15H,4-14H2,1-3H3
InChIKeyRYJJWSQNCCTORA-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate (CID 65421000) is ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate is CCOC(=O)CC1(N2CCN(C)CC2)CCCCC1CC.
What is the InChIKey of ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate?
The InChIKey is RYJJWSQNCCTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-15-8-6-7-9-17(15,14-16(20)21-5-2)19-12-10-18(3)11-13-19/h15H,4-14H2,1-3H3.
What are the key properties of ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate?
ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate has a molecular weight of 296.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate is sourced from PubChem (CID 65421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).