1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine

C19H30N2O — CID 3736434

IUPAC1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine
SMILESCCC1CCC(N2CCN(c3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16-7-9-17(10-8-16)20-11-13-21(14-12-20)18-5-4-6-19(15-18)22-2/h4-6,15-17H,3,7-14H2,1-2H3
InChIKeyMMPZWSLSXAZHPC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine

1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine (PubChem CID 3736434) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine
PubChem CID3736434
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine
SMILESCCC1CCC(N2CCN(c3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16-7-9-17(10-8-16)20-11-13-21(14-12-20)18-5-4-6-19(15-18)22-2/h4-6,15-17H,3,7-14H2,1-2H3
InChIKeyMMPZWSLSXAZHPC-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine (CID 3736434) is 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine is CCC1CCC(N2CCN(c3cccc(OC)c3)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is MMPZWSLSXAZHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-16-7-9-17(10-8-16)20-11-13-21(14-12-20)18-5-4-6-19(15-18)22-2/h4-6,15-17H,3,7-14H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine?
1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3736434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).