1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

C22H41N3 — CID 176683518

IUPAC1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESC=CC1CCC(C(=C)C)CC1.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H23N3.C11H18/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-4-10-5-7-11(8-6-10)9(2)3/h11H,3-10H2,1-2H3;4,10-11H,1-2,5-8H2,3H3
InChIKeyCFKNNDKPVKPLRG-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.88
Rot. Bonds3

About 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 176683518) has the molecular formula C22H41N3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID176683518
Molecular FormulaC22H41N3
Molecular Weight347.59 g/mol
Exact Mass347.33
IUPAC Name1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESC=CC1CCC(C(=C)C)CC1.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H23N3.C11H18/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-4-10-5-7-11(8-6-10)9(2)3/h11H,3-10H2,1-2H3;4,10-11H,1-2,5-8H2,3H3
InChIKeyCFKNNDKPVKPLRG-UHFFFAOYSA-N
XLogP3.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (CID 176683518) is 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is C=CC1CCC(C(=C)C)CC1.CN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is CFKNNDKPVKPLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.C11H18/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-4-10-5-7-11(8-6-10)9(2)3/h11H,3-10H2,1-2H3;4,10-11H,1-2,5-8H2,3H3.
What are the key properties of 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 347.59 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 176683518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).