[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

C21H20N2O2 — CID 2120761

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H20N2O2/c24-20-9-7-19(8-10-20)22-11-13-23(14-12-22)21(25)18-6-5-16-3-1-2-4-17(16)15-18/h1-10,15,24H,11-14H2
InChIKeyJQPVGLUWXLZHRL-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.51
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 2120761) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID2120761
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H20N2O2/c24-20-9-7-19(8-10-20)22-11-13-23(14-12-22)21(25)18-6-5-16-3-1-2-4-17(16)15-18/h1-10,15,24H,11-14H2
InChIKeyJQPVGLUWXLZHRL-UHFFFAOYSA-N
XLogP3.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
CID 2451417
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 2120761) is [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is JQPVGLUWXLZHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-9-7-19(8-10-20)22-11-13-23(14-12-22)21(25)18-6-5-16-3-1-2-4-17(16)15-18/h1-10,15,24H,11-14H2.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 332.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 2120761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).