1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

C11H18N2 — CID 59887826

IUPAC1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCN(C)CC2)=C1
InChIInChI=1S/C11H18N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHLGSPHLEWILNCN-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.32
Rot. Bonds1

About 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (PubChem CID 59887826) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
PubChem CID59887826
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCN(C)CC2)=C1
InChIInChI=1S/C11H18N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHLGSPHLEWILNCN-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-[(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-3-yl]-4-methylpiperazine
CID 143483055
1-[1-(2-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
CID 170343762
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine
CID 143961810
1-Cyclohexa-1,5-dien-1-yl-4-methylpiperazine
CID 21950702
1-methyl-4-[(E)-4-methylpent-2-enyl]piperazine
CID 58719796
1-Methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 59371116
1-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine
CID 68342182
N-cyclohexa-1,5-dien-1-yl-N'-ethyl-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 68344028

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (CID 59887826) is 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is CC1C=CC(N2CCN(C)CC2)=C1.
What is the InChIKey of 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The InChIKey is HLGSPHLEWILNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine has a molecular weight of 178.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is sourced from PubChem (CID 59887826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).