[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol

C19H24N2OS — CID 827365

IUPAC[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol
SMILESCN1CCN(Cc2ccccc2Sc2ccccc2CO)CC1
InChIInChI=1S/C19H24N2OS/c1-20-10-12-21(13-11-20)14-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)15-22/h2-9,22H,10-15H2,1H3
InChIKeyIOBUBGZFDSJNCD-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.08
Rot. Bonds5

About [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol

[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol (PubChem CID 827365) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol
PubChem CID827365
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol
SMILESCN1CCN(Cc2ccccc2Sc2ccccc2CO)CC1
InChIInChI=1S/C19H24N2OS/c1-20-10-12-21(13-11-20)14-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)15-22/h2-9,22H,10-15H2,1H3
InChIKeyIOBUBGZFDSJNCD-UHFFFAOYSA-N
XLogP3.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol (CID 827365) is [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol is CN1CCN(Cc2ccccc2Sc2ccccc2CO)CC1.
What is the InChIKey of [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol?
The InChIKey is IOBUBGZFDSJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20-10-12-21(13-11-20)14-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)15-22/h2-9,22H,10-15H2,1H3.
What are the key properties of [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol?
[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol has a molecular weight of 328.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 827365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).