5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine

C16H32N2O — CID 64848323

IUPAC5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(C2CCCC(OC)C2)C(C)(C)CN1
InChIInChI=1S/C16H32N2O/c1-6-16(4)12-18(15(2,3)11-17-16)13-8-7-9-14(10-13)19-5/h13-14,17H,6-12H2,1-5H3
InChIKeyIFBIAROZSFKDTI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds3

About 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine

5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine (PubChem CID 64848323) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine
PubChem CID64848323
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(C2CCCC(OC)C2)C(C)(C)CN1
InChIInChI=1S/C16H32N2O/c1-6-16(4)12-18(15(2,3)11-17-16)13-8-7-9-14(10-13)19-5/h13-14,17H,6-12H2,1-5H3
InChIKeyIFBIAROZSFKDTI-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine?
The IUPAC name of 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine (CID 64848323) is 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine is CCC1(C)CN(C2CCCC(OC)C2)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine?
The InChIKey is IFBIAROZSFKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-16(4)12-18(15(2,3)11-17-16)13-8-7-9-14(10-13)19-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine?
5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methoxycyclohexyl)-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64848323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).