3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol

C18H22N2O2 — CID 110008096

IUPAC3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
SMILESOCc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C18H22N2O2/c21-14-16-6-4-15(5-7-16)13-19-8-10-20(11-9-19)17-2-1-3-18(22)12-17/h1-7,12,21-22H,8-11,13-14H2
InChIKeyKFWOHKNSXACGLX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.21
Rot. Bonds4

About 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol

3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol (PubChem CID 110008096) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
PubChem CID110008096
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
SMILESOCc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C18H22N2O2/c21-14-16-6-4-15(5-7-16)13-19-8-10-20(11-9-19)17-2-1-3-18(22)12-17/h1-7,12,21-22H,8-11,13-14H2
InChIKeyKFWOHKNSXACGLX-UHFFFAOYSA-N
XLogP2.21
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2838458
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4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
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4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
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2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
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CID 7162062

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol (CID 110008096) is 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol is OCc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1.
What is the InChIKey of 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol?
The InChIKey is KFWOHKNSXACGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-14-16-6-4-15(5-7-16)13-19-8-10-20(11-9-19)17-2-1-3-18(22)12-17/h1-7,12,21-22H,8-11,13-14H2.
What are the key properties of 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol?
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 110008096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).