1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium

C20H34N2+2 — CID 7120136

IUPAC1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
SMILESCCc1ccc(C[NH+]2CC[NH+](C3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-2-18-9-11-19(12-10-18)17-21-13-15-22(16-14-21)20-7-5-3-4-6-8-20/h9-12,20H,2-8,13-17H2,1H3/p+2
InChIKeyDRAYXIURALWLCR-UHFFFAOYSA-P
MW302.51 g/mol
LogP1.26
Rot. Bonds4

About 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium

1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium (PubChem CID 7120136) has the molecular formula C20H34N2+2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
PubChem CID7120136
Molecular FormulaC20H34N2+2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
SMILESCCc1ccc(C[NH+]2CC[NH+](C3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-2-18-9-11-19(12-10-18)17-21-13-15-22(16-14-21)20-7-5-3-4-6-8-20/h9-12,20H,2-8,13-17H2,1H3/p+2
InChIKeyDRAYXIURALWLCR-UHFFFAOYSA-P
XLogP1.26
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 6981095
1-cyclopentyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium
CID 4742397
1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium
CID 4741555
1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7026518
1-[(2-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium
CID 2055176
1-[(2S)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 6988385
1-[(4-ethylphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 7027955
1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 6945670
9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
CID 7027663
1-[(3-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 6982042
1-benzyl-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 7445786

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium (CID 7120136) is 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium is CCc1ccc(C[NH+]2CC[NH+](C3CCCCCC3)CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The InChIKey is DRAYXIURALWLCR-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H32N2/c1-2-18-9-11-19(12-10-18)17-21-13-15-22(16-14-21)20-7-5-3-4-6-8-20/h9-12,20H,2-8,13-17H2,1H3/p+2.
What are the key properties of 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium?
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium has a molecular weight of 302.51 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 7120136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).