6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol

C14H22N2O3 — CID 141165692

IUPAC6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)C(=CN2CCN(CCO)CC2)CC=C1
InChIInChI=1S/C14H22N2O3/c1-19-13-4-2-3-12(14(13)18)11-16-7-5-15(6-8-16)9-10-17/h2,4,11,17-18H,3,5-10H2,1H3
InChIKeyLWQJGEYIALTRJW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds4

About 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol

6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 141165692) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID141165692
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)C(=CN2CCN(CCO)CC2)CC=C1
InChIInChI=1S/C14H22N2O3/c1-19-13-4-2-3-12(14(13)18)11-16-7-5-15(6-8-16)9-10-17/h2,4,11,17-18H,3,5-10H2,1H3
InChIKeyLWQJGEYIALTRJW-UHFFFAOYSA-N
XLogP0.86
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2E,5E,7Z)-7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-10-oxa-1-azabicyclo[7.3.1]trideca-2,5,7,9(13)-tetraen-3-yl]methanol
CID 144088469
6-(Diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
CID 87695748
[4-[2-(4-Methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
CID 123477859
2-Methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol
CID 141165691

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (CID 141165692) is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is COC1=C(O)C(=CN2CCN(CCO)CC2)CC=C1.
What is the InChIKey of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is LWQJGEYIALTRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-13-4-2-3-12(14(13)18)11-16-7-5-15(6-8-16)9-10-17/h2,4,11,17-18H,3,5-10H2,1H3.
What are the key properties of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 266.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 141165692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).