1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine

C18H24N2 — CID 143717943

IUPAC1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine
SMILESCC1=CC=C(N2CCN(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C18H24N2/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-5,7-9H,6,10-14H2,1-2H3
InChIKeyLXCROKWFSIBHGC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine

1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine (PubChem CID 143717943) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine
PubChem CID143717943
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine
SMILESCC1=CC=C(N2CCN(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C18H24N2/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-5,7-9H,6,10-14H2,1-2H3
InChIKeyLXCROKWFSIBHGC-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine (CID 143717943) is 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine is CC1=CC=C(N2CCN(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine?
The InChIKey is LXCROKWFSIBHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-5,7-9H,6,10-14H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine?
1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine has a molecular weight of 268.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 143717943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).