1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine

C14H24N2O — CID 71170408

IUPAC1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
SMILESCC1C=CC(OCCN2CCN(C)CC2)=CC1
InChIInChI=1S/C14H24N2O/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyFGTDLHVLLMVDJI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.73
Rot. Bonds4

About 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine

1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine (PubChem CID 71170408) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
PubChem CID71170408
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
SMILESCC1C=CC(OCCN2CCN(C)CC2)=CC1
InChIInChI=1S/C14H24N2O/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyFGTDLHVLLMVDJI-UHFFFAOYSA-N
XLogP1.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine (CID 71170408) is 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine is CC1C=CC(OCCN2CCN(C)CC2)=CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine?
The InChIKey is FGTDLHVLLMVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine?
1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine is sourced from PubChem (CID 71170408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).