1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine

C12H20N2O — CID 173123661

IUPAC1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1(N2CCN(C)CC2)C=CC=CC1
InChIInChI=1S/C12H20N2O/c1-13-8-10-14(11-9-13)12(15-2)6-4-3-5-7-12/h3-6H,7-11H2,1-2H3
InChIKeyZFHBXQNRKNJODP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine

1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 173123661) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID173123661
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1(N2CCN(C)CC2)C=CC=CC1
InChIInChI=1S/C12H20N2O/c1-13-8-10-14(11-9-13)12(15-2)6-4-3-5-7-12/h3-6H,7-11H2,1-2H3
InChIKeyZFHBXQNRKNJODP-UHFFFAOYSA-N
XLogP1.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine (CID 173123661) is 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine is COC1(N2CCN(C)CC2)C=CC=CC1.
What is the InChIKey of 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is ZFHBXQNRKNJODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-8-10-14(11-9-13)12(15-2)6-4-3-5-7-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 173123661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).