[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol

C21H28N2O2 — CID 75517917

IUPAC[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
SMILESCC1CN(Cc2ccc(CO)cc2)CCN1Cc1ccc(CO)cc1
InChIInChI=1S/C21H28N2O2/c1-17-12-22(13-18-2-6-20(15-24)7-3-18)10-11-23(17)14-19-4-8-21(16-25)9-5-19/h2-9,17,24-25H,10-16H2,1H3
InChIKeyWSWAMPCKJLLSQA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.38
Rot. Bonds6

About [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol

[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol (PubChem CID 75517917) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
PubChem CID75517917
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
SMILESCC1CN(Cc2ccc(CO)cc2)CCN1Cc1ccc(CO)cc1
InChIInChI=1S/C21H28N2O2/c1-17-12-22(13-18-2-6-20(15-24)7-3-18)10-11-23(17)14-19-4-8-21(16-25)9-5-19/h2-9,17,24-25H,10-16H2,1H3
InChIKeyWSWAMPCKJLLSQA-UHFFFAOYSA-N
XLogP2.38
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol (CID 75517917) is [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol is CC1CN(Cc2ccc(CO)cc2)CCN1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is WSWAMPCKJLLSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-12-22(13-18-2-6-20(15-24)7-3-18)10-11-23(17)14-19-4-8-21(16-25)9-5-19/h2-9,17,24-25H,10-16H2,1H3.
What are the key properties of [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol?
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 340.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 75517917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).