1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine

C14H22N2 — CID 173070940

IUPAC1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine
SMILESC1=CC(N2CCN(C3CCC3)CC2)=CCC1
InChIInChI=1S/C14H22N2/c1-2-5-13(6-3-1)15-9-11-16(12-10-15)14-7-4-8-14/h2,5-6,14H,1,3-4,7-12H2
InChIKeyNHGNXYPTIYIUNH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds2

About 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine

1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine (PubChem CID 173070940) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine
PubChem CID173070940
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine
SMILESC1=CC(N2CCN(C3CCC3)CC2)=CCC1
InChIInChI=1S/C14H22N2/c1-2-5-13(6-3-1)15-9-11-16(12-10-15)14-7-4-8-14/h2,5-6,14H,1,3-4,7-12H2
InChIKeyNHGNXYPTIYIUNH-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
CID 141053416
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methylpropan-2-ol
CID 173070844
1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
1-cycloheptyl-4-phenylpiperazine
CID 2846720
(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141126802
(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
CID 102449509
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
CID 173071161
1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 143389115
1-(5-chlorocyclohepta-1,6-dien-1-yl)-4-methyl-1,4-diazepane;ethane
CID 143065016
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine?
The IUPAC name of 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine (CID 173070940) is 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine.
What is the SMILES notation for 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine?
The canonical SMILES for 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine is C1=CC(N2CCN(C3CCC3)CC2)=CCC1.
What is the InChIKey of 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine?
The InChIKey is NHGNXYPTIYIUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-5-13(6-3-1)15-9-11-16(12-10-15)14-7-4-8-14/h2,5-6,14H,1,3-4,7-12H2.
What are the key properties of 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine?
1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine is sourced from PubChem (CID 173070940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).