1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol

C21H21ClN2O — CID 2845612

IUPAC1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN2O/c22-17-5-3-6-18(14-17)24-12-10-23(11-13-24)15-20-19-7-2-1-4-16(19)8-9-21(20)25/h1-9,14,25H,10-13,15H2
InChIKeyZGPGDESXGVOIKM-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.52
Rot. Bonds3

About 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol

1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol (PubChem CID 2845612) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
PubChem CID2845612
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN2O/c22-17-5-3-6-18(14-17)24-12-10-23(11-13-24)15-20-19-7-2-1-4-16(19)8-9-21(20)25/h1-9,14,25H,10-13,15H2
InChIKeyZGPGDESXGVOIKM-UHFFFAOYSA-N
XLogP4.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31252685

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol (CID 2845612) is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is ZGPGDESXGVOIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-17-5-3-6-18(14-17)24-12-10-23(11-13-24)15-20-19-7-2-1-4-16(19)8-9-21(20)25/h1-9,14,25H,10-13,15H2.
What are the key properties of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 352.87 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 2845612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).