1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol

C14H24N2O — CID 138601277

IUPAC1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCC1C=C(C(O)CN2CCN(C)CC2)C=CC1
InChIInChI=1S/C14H24N2O/c1-12-4-3-5-13(10-12)14(17)11-16-8-6-15(2)7-9-16/h3,5,10,12,14,17H,4,6-9,11H2,1-2H3
InChIKeyIZSQSNSMNCABIV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.12
Rot. Bonds3

About 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol

1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 138601277) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID138601277
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCC1C=C(C(O)CN2CCN(C)CC2)C=CC1
InChIInChI=1S/C14H24N2O/c1-12-4-3-5-13(10-12)14(17)11-16-8-6-15(2)7-9-16/h3,5,10,12,14,17H,4,6-9,11H2,1-2H3
InChIKeyIZSQSNSMNCABIV-UHFFFAOYSA-N
XLogP1.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-(4-methylpiperazin-1-yl)methanol
CID 144808718
3-(1-Propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
CID 54344402
[4-[2-(4-Methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
CID 123477859
(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
CID 143551128
1-Cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
CID 143658544
6-(Dimethylamino)-6-[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol
CID 150281451

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol (CID 138601277) is 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol is CC1C=C(C(O)CN2CCN(C)CC2)C=CC1.
What is the InChIKey of 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is IZSQSNSMNCABIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-4-3-5-13(10-12)14(17)11-16-8-6-15(2)7-9-16/h3,5,10,12,14,17H,4,6-9,11H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol?
1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 236.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexa-1,5-dien-1-yl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 138601277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).