2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol

C19H24N2O2 — CID 791396

IUPAC2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCN(c3ccccc3C)CC2)ccc1O
InChIInChI=1S/C19H24N2O2/c1-15-5-3-4-6-17(15)21-11-9-20(10-12-21)14-16-7-8-18(22)19(13-16)23-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRBOIGLGCOGRGKC-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds4

About 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol

2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 791396) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
PubChem CID791396
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCN(c3ccccc3C)CC2)ccc1O
InChIInChI=1S/C19H24N2O2/c1-15-5-3-4-6-17(15)21-11-9-20(10-12-21)14-16-7-8-18(22)19(13-16)23-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRBOIGLGCOGRGKC-UHFFFAOYSA-N
XLogP3.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol (CID 791396) is 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol is COc1cc(CN2CCN(c3ccccc3C)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is RBOIGLGCOGRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-5-3-4-6-17(15)21-11-9-20(10-12-21)14-16-7-8-18(22)19(13-16)23-2/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 791396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).