[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol

C14H24N2O2 — CID 123477859

IUPAC[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
SMILESCN1CCN(CCOC2C=CC(CO)=CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-4-2-13(12-17)3-5-14/h2-4,14,17H,5-12H2,1H3
InChIKeyHNHDCYUDEVTSBQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.50
Rot. Bonds5

About [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol

[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 123477859) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
PubChem CID123477859
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
SMILESCN1CCN(CCOC2C=CC(CO)=CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-4-2-13(12-17)3-5-14/h2-4,14,17H,5-12H2,1H3
InChIKeyHNHDCYUDEVTSBQ-UHFFFAOYSA-N
XLogP0.50
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
CID 134579878
1-(3-Methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 138601277
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
CID 138636356
3-(Morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol
CID 139646449
6-[[4-(2-Hydroxyethyl)piperazin-1-yl]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 141165692
6-(Morpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ol
CID 142699782
2-[2-(3,6-Dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol
CID 143536226
1-(2-Cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine
CID 175756683

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol (CID 123477859) is [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol is CN1CCN(CCOC2C=CC(CO)=CC2)CC1.
What is the InChIKey of [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is HNHDCYUDEVTSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-4-2-13(12-17)3-5-14/h2-4,14,17H,5-12H2,1H3.
What are the key properties of [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol?
[4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 123477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).