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

C13H22N2O — CID 123406630

IUPAC[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(CC2=CC=C(CO)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2,4,16H,3,5-11H2,1H3
InChIKeySRZNTIDVRZOFEJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.87
Rot. Bonds3

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

[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 123406630) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
PubChem CID123406630
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN1CCN(CC2=CC=C(CO)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2,4,16H,3,5-11H2,1H3
InChIKeySRZNTIDVRZOFEJ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol (CID 123406630) is [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol is CN1CCN(CC2=CC=C(CO)CC2)CC1.
What is the InChIKey of [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is SRZNTIDVRZOFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2,4,16H,3,5-11H2,1H3.
What are the key properties of [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol?
[4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 123406630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).