1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium

C22H32N2+2 — CID 7334376

IUPAC1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
SMILESCC1CCC([NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C22H30N2/c1-18-9-11-21(12-10-18)24-15-13-23(14-16-24)17-20-7-4-6-19-5-2-3-8-22(19)20/h2-8,18,21H,9-17H2,1H3/p+2
InChIKeyCEZQGAFSYROOLS-UHFFFAOYSA-P
MW324.51 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium

1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium (PubChem CID 7334376) has the molecular formula C22H32N2+2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
PubChem CID7334376
Molecular FormulaC22H32N2+2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
SMILESCC1CCC([NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C22H30N2/c1-18-9-11-21(12-10-18)24-15-13-23(14-16-24)17-20-7-4-6-19-5-2-3-8-22(19)20/h2-8,18,21H,9-17H2,1H3/p+2
InChIKeyCEZQGAFSYROOLS-UHFFFAOYSA-P
XLogP1.70
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1R,3R)-3-methylcyclohexyl]-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7344676
2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
CID 7325688
1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7325686
1-[(3-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 6982042
1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium
CID 7101668
1-ethylnaphthalene;methylcyclopropane
CID 142069670
1-benzyl-4-[(1R,3R)-3-methylcyclopentyl]piperazine-1,4-diium
CID 6937897
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 4745687
1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948179
1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 7109025

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium (CID 7334376) is 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium is CC1CCC([NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium?
The InChIKey is CEZQGAFSYROOLS-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H30N2/c1-18-9-11-21(12-10-18)24-15-13-23(14-16-24)17-20-7-4-6-19-5-2-3-8-22(19)20/h2-8,18,21H,9-17H2,1H3/p+2.
What are the key properties of 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium?
1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium has a molecular weight of 324.51 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium is sourced from PubChem (CID 7334376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).