1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine

C12H20N2 — CID 69199631

IUPAC1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine
SMILESCCC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C12H20N2/c1-2-12(6-4-3-5-7-12)14-10-8-13-9-11-14/h3-6,13H,2,7-11H2,1H3
InChIKeyRYCBUZYMLFFLQO-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.56
Rot. Bonds2

About 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine

1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 69199631) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine
PubChem CID69199631
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine
SMILESCCC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C12H20N2/c1-2-12(6-4-3-5-7-12)14-10-8-13-9-11-14/h3-6,13H,2,7-11H2,1H3
InChIKeyRYCBUZYMLFFLQO-UHFFFAOYSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine (CID 69199631) is 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine is CCC1(N2CCNCC2)C=CC=CC1.
What is the InChIKey of 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is RYCBUZYMLFFLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-12(6-4-3-5-7-12)14-10-8-13-9-11-14/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine?
1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 69199631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).