1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine

C21H32N2O — CID 23142033

IUPAC1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine
SMILESCCC1(CC)CC=C(c2ccc(OC)cc2N2CCNCC2)CC1
InChIInChI=1S/C21H32N2O/c1-4-21(5-2)10-8-17(9-11-21)19-7-6-18(24-3)16-20(19)23-14-12-22-13-15-23/h6-8,16,22H,4-5,9-15H2,1-3H3
InChIKeyUYEROJGCNVKMJK-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.48
Rot. Bonds5

About 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine

1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine (PubChem CID 23142033) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine.

Molecular Properties

Compound Name1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine
PubChem CID23142033
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine
SMILESCCC1(CC)CC=C(c2ccc(OC)cc2N2CCNCC2)CC1
InChIInChI=1S/C21H32N2O/c1-4-21(5-2)10-8-17(9-11-21)19-7-6-18(24-3)16-20(19)23-14-12-22-13-15-23/h6-8,16,22H,4-5,9-15H2,1-3H3
InChIKeyUYEROJGCNVKMJK-UHFFFAOYSA-N
XLogP4.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine?
The IUPAC name of 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine (CID 23142033) is 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine.
What is the SMILES notation for 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine?
The canonical SMILES for 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine is CCC1(CC)CC=C(c2ccc(OC)cc2N2CCNCC2)CC1.
What is the InChIKey of 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine?
The InChIKey is UYEROJGCNVKMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-4-21(5-2)10-8-17(9-11-21)19-7-6-18(24-3)16-20(19)23-14-12-22-13-15-23/h6-8,16,22H,4-5,9-15H2,1-3H3.
What are the key properties of 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine?
1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine has a molecular weight of 328.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine is sourced from PubChem (CID 23142033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).