1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine

C20H34N2 — CID 166837859

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine
SMILESC=C(CC(C)(C)C)N1CCN(CC2=CCCC=C2)C(CC)C1
InChIInChI=1S/C20H34N2/c1-6-19-16-21(17(2)14-20(3,4)5)12-13-22(19)15-18-10-8-7-9-11-18/h8,10-11,19H,2,6-7,9,12-16H2,1,3-5H3
InChIKeyGZRBYPDIPZYPGV-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.61
Rot. Bonds5

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine (PubChem CID 166837859) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine
PubChem CID166837859
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine
SMILESC=C(CC(C)(C)C)N1CCN(CC2=CCCC=C2)C(CC)C1
InChIInChI=1S/C20H34N2/c1-6-19-16-21(17(2)14-20(3,4)5)12-13-22(19)15-18-10-8-7-9-11-18/h8,10-11,19H,2,6-7,9,12-16H2,1,3-5H3
InChIKeyGZRBYPDIPZYPGV-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915
(1S,2R)-4,14-ditert-butyl-7,11-diazatricyclo[9.4.0.02,7]pentadeca-3,5,12,14-tetraene
CID 21605812
N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine
CID 58121785
1-Methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371111
1-Methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 59371116
(2R,6S)-4-(1,6-dihydroinden-6-id-5-yl)-1,2,6-trimethylpiperazine;rubidium(1+)
CID 60101289
N-[(Z)-hept-4-en-2-yl]-4,4-dimethyl-N-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-amine
CID 70888033
1-Methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine
CID 86745479
2,4-Dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 91310195
1-methyl-6-(piperidin-1-ylmethyl)-2-propan-2-yl-2H-pyridine
CID 121480627
1-(6,6-Dimethyl-2,5-dimethylidenehept-3-enyl)-4-methylpiperazine
CID 123634613
N-cyclohexa-2,4-dien-1-yl-N-(7,7-dimethylocta-2,4-dien-3-yl)cyclohexa-1,3-dien-1-amine
CID 123833977

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine (CID 166837859) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine is C=C(CC(C)(C)C)N1CCN(CC2=CCCC=C2)C(CC)C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine?
The InChIKey is GZRBYPDIPZYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-6-19-16-21(17(2)14-20(3,4)5)12-13-22(19)15-18-10-8-7-9-11-18/h8,10-11,19H,2,6-7,9,12-16H2,1,3-5H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine has a molecular weight of 302.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine is sourced from PubChem (CID 166837859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).