4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide

C18H21N3O2 — CID 25329756

IUPAC4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C18H21N3O2/c19-18(23)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2,(H2,19,23)
InChIKeySBIYSQWWQGBIBJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.81
Rot. Bonds4

About 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide

4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 25329756) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID25329756
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C18H21N3O2/c19-18(23)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2,(H2,19,23)
InChIKeySBIYSQWWQGBIBJ-UHFFFAOYSA-N
XLogP1.81
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
4-[[[C-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111185383
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 25343963
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 71368578
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
4-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 34708303

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide (CID 25329756) is 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is SBIYSQWWQGBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-18(23)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2,(H2,19,23).
What are the key properties of 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 25329756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).