[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol

C20H26N2O2 — CID 10087782

IUPAC[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1
InChIInChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1
InChIKeyRHUXOEGREIFOAV-LJQANCHMSA-N
MW326.44 g/mol
LogP2.37
Rot. Bonds6

About [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol

[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol (PubChem CID 10087782) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol
PubChem CID10087782
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1
InChIInChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1
InChIKeyRHUXOEGREIFOAV-LJQANCHMSA-N
XLogP2.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol?
The IUPAC name of [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol (CID 10087782) is [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol is COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1.
What is the InChIKey of [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol?
The InChIKey is RHUXOEGREIFOAV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol?
[(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzyl-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]methanol is sourced from PubChem (CID 10087782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).