[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol

C13H22N2O — CID 123315161

IUPAC[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(CC2C=CC=C(CO)C2)CC1
InChIInChI=1S/C13H22N2O/c1-14-5-7-15(8-6-14)10-12-3-2-4-13(9-12)11-16/h2-4,12,16H,5-11H2,1H3
InChIKeyYADGUZAYOLZXMP-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.73
Rot. Bonds3

About [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol

[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 123315161) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
PubChem CID123315161
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(CC2C=CC=C(CO)C2)CC1
InChIInChI=1S/C13H22N2O/c1-14-5-7-15(8-6-14)10-12-3-2-4-13(9-12)11-16/h2-4,12,16H,5-11H2,1H3
InChIKeyYADGUZAYOLZXMP-UHFFFAOYSA-N
XLogP0.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-[4-(4-methylpiperazin-1-yl)butan-2-yl]hex-2-en-1-ol
CID 68199986
[4-[(4-Methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
CID 123406630
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol
CID 143689641
1-(2-piperidin-1-ylethyl)-5-propan-2-yl-2H-pyridin-2-ol
CID 160782286

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol (CID 123315161) is [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol is CN1CCN(CC2C=CC=C(CO)C2)CC1.
What is the InChIKey of [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is YADGUZAYOLZXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-5-7-15(8-6-14)10-12-3-2-4-13(9-12)11-16/h2-4,12,16H,5-11H2,1H3.
What are the key properties of [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
[5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 123315161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).