1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine

C13H22N2 — CID 71119906

IUPAC1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCC1=CC=C(N2CCN(C)CC2)CC1C
InChIInChI=1S/C13H22N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,12H,6-10H2,1-3H3
InChIKeyTUKDBKWBSQTPCZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.10
Rot. Bonds1

About 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine

1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine (PubChem CID 71119906) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
PubChem CID71119906
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCC1=CC=C(N2CCN(C)CC2)CC1C
InChIInChI=1S/C13H22N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,12H,6-10H2,1-3H3
InChIKeyTUKDBKWBSQTPCZ-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine (CID 71119906) is 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine is CC1=CC=C(N2CCN(C)CC2)CC1C.
What is the InChIKey of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The InChIKey is TUKDBKWBSQTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,12H,6-10H2,1-3H3.
What are the key properties of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine has a molecular weight of 206.33 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 71119906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).