3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol

C20H27N3O — CID 56824364

IUPAC3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol
SMILESCN1CCN(CC(NCc2cccc(O)c2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-22-10-12-23(13-11-22)16-20(18-7-3-2-4-8-18)21-15-17-6-5-9-19(24)14-17/h2-9,14,20-21,24H,10-13,15-16H2,1H3
InChIKeyZEXHKWKBRIZXMS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.47
Rot. Bonds6

About 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol

3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol (PubChem CID 56824364) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol
PubChem CID56824364
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol
SMILESCN1CCN(CC(NCc2cccc(O)c2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-22-10-12-23(13-11-22)16-20(18-7-3-2-4-8-18)21-15-17-6-5-9-19(24)14-17/h2-9,14,20-21,24H,10-13,15-16H2,1H3
InChIKeyZEXHKWKBRIZXMS-UHFFFAOYSA-N
XLogP2.47
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol (CID 56824364) is 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol is CN1CCN(CC(NCc2cccc(O)c2)c2ccccc2)CC1.
What is the InChIKey of 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol?
The InChIKey is ZEXHKWKBRIZXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22-10-12-23(13-11-22)16-20(18-7-3-2-4-8-18)21-15-17-6-5-9-19(24)14-17/h2-9,14,20-21,24H,10-13,15-16H2,1H3.
What are the key properties of 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol?
3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol has a molecular weight of 325.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 56824364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).