1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol

C14H24N2O3 — CID 70233557

IUPAC1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol
SMILESCOC1=CCCC=C1OCC(O)CN1CCNCC1
InChIInChI=1S/C14H24N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h4-5,12,15,17H,2-3,6-11H2,1H3
InChIKeyOXZJNQVOPMEHJQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.48
Rot. Bonds6

About 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol

1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol (PubChem CID 70233557) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol
PubChem CID70233557
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol
SMILESCOC1=CCCC=C1OCC(O)CN1CCNCC1
InChIInChI=1S/C14H24N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h4-5,12,15,17H,2-3,6-11H2,1H3
InChIKeyOXZJNQVOPMEHJQ-UHFFFAOYSA-N
XLogP0.48
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol (CID 70233557) is 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol is COC1=CCCC=C1OCC(O)CN1CCNCC1.
What is the InChIKey of 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The InChIKey is OXZJNQVOPMEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h4-5,12,15,17H,2-3,6-11H2,1H3.
What are the key properties of 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol?
1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycyclohexa-1,5-dien-1-yl)oxy-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 70233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).