1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine

C15H26N2O — CID 173163190

IUPAC1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine
SMILESCN1CCN(CC(C)(C)OC2=CCCC=C2)CC1
InChIInChI=1S/C15H26N2O/c1-15(2,18-14-7-5-4-6-8-14)13-17-11-9-16(3)10-12-17/h5,7-8H,4,6,9-13H2,1-3H3
InChIKeyUZBGFNKTYIHMGO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds4

About 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine

1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine (PubChem CID 173163190) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine
PubChem CID173163190
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine
SMILESCN1CCN(CC(C)(C)OC2=CCCC=C2)CC1
InChIInChI=1S/C15H26N2O/c1-15(2,18-14-7-5-4-6-8-14)13-17-11-9-16(3)10-12-17/h5,7-8H,4,6,9-13H2,1-3H3
InChIKeyUZBGFNKTYIHMGO-UHFFFAOYSA-N
XLogP2.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
CID 143054399
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methylpropan-2-ol
CID 173070844
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
CID 163906125
2-[(2R)-1,1,1-trifluoro-4-methoxybutan-2-yl]oxycyclohexa-1,3-diene
CID 173297075
N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 166832141
4-[(4-cyclohexa-1,5-dien-1-ylphenoxy)methyl]-1-(2-fluoro-2-methylpropyl)piperidine
CID 90018396
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine (CID 173163190) is 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine is CN1CCN(CC(C)(C)OC2=CCCC=C2)CC1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine?
The InChIKey is UZBGFNKTYIHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,18-14-7-5-4-6-8-14)13-17-11-9-16(3)10-12-17/h5,7-8H,4,6,9-13H2,1-3H3.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine?
1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine is sourced from PubChem (CID 173163190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).