1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine

C17H32N2 — CID 782301

IUPAC1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2=C(C)CCCC2(C)C)CC1
InChIInChI=1S/C17H32N2/c1-5-18-11-13-19(14-12-18)10-8-16-15(2)7-6-9-17(16,3)4/h5-14H2,1-4H3
InChIKeySUURWYGCKAEOGP-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.54
Rot. Bonds4

About 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine

1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine (PubChem CID 782301) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
PubChem CID782301
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2=C(C)CCCC2(C)C)CC1
InChIInChI=1S/C17H32N2/c1-5-18-11-13-19(14-12-18)10-8-16-15(2)7-6-9-17(16,3)4/h5-14H2,1-4H3
InChIKeySUURWYGCKAEOGP-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 3741519
Ammonium, hexamethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, dibromide, dihydrate
CID 48640
Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
CID 51488
Ammonium, ethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
CID 51494
Cambridge id 5417796
CID 4366293
9-Fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176829800
9-Fluoro-3-methyl-10,11-di(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 177162403
5-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48047
4-[Dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium
CID 48067
4-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]butyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48069
3-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]propyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48074
10-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]decyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48314

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine (CID 782301) is 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine is CCN1CCN(CCC2=C(C)CCCC2(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine?
The InChIKey is SUURWYGCKAEOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-18-11-13-19(14-12-18)10-8-16-15(2)7-6-9-17(16,3)4/h5-14H2,1-4H3.
What are the key properties of 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine?
1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine has a molecular weight of 264.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine is sourced from PubChem (CID 782301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).