[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol

C12H20N2O — CID 122535900

IUPAC[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(C2CC=CC=C2CO)CC1
InChIInChI=1S/C12H20N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-4,12,15H,5-10H2,1H3
InChIKeyKBCBONNXMAHASB-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.48
Rot. Bonds2

About [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol

[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 122535900) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID122535900
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(C2CC=CC=C2CO)CC1
InChIInChI=1S/C12H20N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-4,12,15H,5-10H2,1H3
InChIKeyKBCBONNXMAHASB-UHFFFAOYSA-N
XLogP0.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol (CID 122535900) is [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol is CN1CCN(C2CC=CC=C2CO)CC1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is KBCBONNXMAHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-4,12,15H,5-10H2,1H3.
What are the key properties of [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol?
[6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 208.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 122535900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).