1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine

C12H20N2 — CID 18465668

IUPAC1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CC=CCC2)CC1
InChIInChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3
InChIKeyZHOZPWOXSMCOAW-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.51
Rot. Bonds2

About 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine

1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine (PubChem CID 18465668) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine
PubChem CID18465668
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CC=CCC2)CC1
InChIInChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3
InChIKeyZHOZPWOXSMCOAW-UHFFFAOYSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine (CID 18465668) is 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine is CN1CCN(CC2=CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine?
The InChIKey is ZHOZPWOXSMCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3.
What are the key properties of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine?
1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine has a molecular weight of 192.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine is sourced from PubChem (CID 18465668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).