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

C19H24N2O — CID 126671151

IUPAC[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
SMILESCN1CCN(Cc2ccc(-c3ccc(CO)cc3)cc2)CC1
InChIInChI=1S/C19H24N2O/c1-20-10-12-21(13-11-20)14-16-2-6-18(7-3-16)19-8-4-17(15-22)5-9-19/h2-9,22H,10-15H2,1H3
InChIKeyDUSCMLWMJHVJRO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.59
Rot. Bonds4

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

[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol (PubChem CID 126671151) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
PubChem CID126671151
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
SMILESCN1CCN(Cc2ccc(-c3ccc(CO)cc3)cc2)CC1
InChIInChI=1S/C19H24N2O/c1-20-10-12-21(13-11-20)14-16-2-6-18(7-3-16)19-8-4-17(15-22)5-9-19/h2-9,22H,10-15H2,1H3
InChIKeyDUSCMLWMJHVJRO-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol?
The IUPAC name of [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol (CID 126671151) is [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol is CN1CCN(Cc2ccc(-c3ccc(CO)cc3)cc2)CC1.
What is the InChIKey of [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol?
The InChIKey is DUSCMLWMJHVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-10-12-21(13-11-20)14-16-2-6-18(7-3-16)19-8-4-17(15-22)5-9-19/h2-9,22H,10-15H2,1H3.
What are the key properties of [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol?
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol has a molecular weight of 296.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol is sourced from PubChem (CID 126671151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).