1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium

C19H33N2+ — CID 67027605

IUPAC1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium
SMILESC=CCC1CCC(N2CC[N+](CC=C)(CC=C)CC2)CC1
InChIInChI=1S/C19H33N2/c1-4-7-18-8-10-19(11-9-18)20-12-16-21(14-5-2,15-6-3)17-13-20/h4-6,18-19H,1-3,7-17H2/q+1
InChIKeyPWNICHAYPIZQMQ-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.63
Rot. Bonds7

About 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium

1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium (PubChem CID 67027605) has the molecular formula C19H33N2+ and a molecular weight of 289.49 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium
PubChem CID67027605
Molecular FormulaC19H33N2+
Molecular Weight289.49 g/mol
Exact Mass289.26
IUPAC Name1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium
SMILESC=CCC1CCC(N2CC[N+](CC=C)(CC=C)CC2)CC1
InChIInChI=1S/C19H33N2/c1-4-7-18-8-10-19(11-9-18)20-12-16-21(14-5-2,15-6-3)17-13-20/h4-6,18-19H,1-3,7-17H2/q+1
InChIKeyPWNICHAYPIZQMQ-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium?
The IUPAC name of 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium (CID 67027605) is 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium.
What is the SMILES notation for 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium?
The canonical SMILES for 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium is C=CCC1CCC(N2CC[N+](CC=C)(CC=C)CC2)CC1.
What is the InChIKey of 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium?
The InChIKey is PWNICHAYPIZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N2/c1-4-7-18-8-10-19(11-9-18)20-12-16-21(14-5-2,15-6-3)17-13-20/h4-6,18-19H,1-3,7-17H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium?
1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium has a molecular weight of 289.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium is sourced from PubChem (CID 67027605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).