1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium

C18H34N2+2 — CID 6935321

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
SMILESCC1CCC([NH+]2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1
InChIInChI=1S/C18H32N2/c1-16-7-9-18(10-8-16)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-3,16-18H,4-15H2,1H3/p+2/t16?,17-,18?/m0/s1
InChIKeySOZFAPALWISQBU-ADKAHSJRSA-P
MW278.48 g/mol
LogP0.70
Rot. Bonds3

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium (PubChem CID 6935321) has the molecular formula C18H34N2+2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
PubChem CID6935321
Molecular FormulaC18H34N2+2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
SMILESCC1CCC([NH+]2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1
InChIInChI=1S/C18H32N2/c1-16-7-9-18(10-8-16)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-3,16-18H,4-15H2,1H3/p+2/t16?,17-,18?/m0/s1
InChIKeySOZFAPALWISQBU-ADKAHSJRSA-P
XLogP0.70
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7354705
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7354703
1-[(2R)-butan-2-yl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 6593219
1-benzyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7320074
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656
1-[(4-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7108996
4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-carbaldehyde
CID 6962923
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6982174
1-[(2-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7108965
1-(cyclohex-3-en-1-ylmethyl)-4-[(2-fluorophenyl)methyl]piperazine-1,4-diium
CID 4156055
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945654
4-propylcyclohexene
CID 518777

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium (CID 6935321) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium is CC1CCC([NH+]2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The InChIKey is SOZFAPALWISQBU-ADKAHSJRSA-P. The full InChI is InChI=1S/C18H32N2/c1-16-7-9-18(10-8-16)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17/h2-3,16-18H,4-15H2,1H3/p+2/t16?,17-,18?/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium has a molecular weight of 278.48 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium is sourced from PubChem (CID 6935321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).