(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone

C21H26ClN3O — CID 113078848

IUPAC(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c1-3-23(4-2)17-9-11-18(12-10-17)24-13-15-25(16-14-24)21(26)19-7-5-6-8-20(19)22/h5-12H,3-4,13-16H2,1-2H3
InChIKeyDRMBHRJLJIOWOI-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.15
Rot. Bonds5

About (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 113078848) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID113078848
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c1-3-23(4-2)17-9-11-18(12-10-17)24-13-15-25(16-14-24)21(26)19-7-5-6-8-20(19)22/h5-12H,3-4,13-16H2,1-2H3
InChIKeyDRMBHRJLJIOWOI-UHFFFAOYSA-N
XLogP4.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone (CID 113078848) is (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is DRMBHRJLJIOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-3-23(4-2)17-9-11-18(12-10-17)24-13-15-25(16-14-24)21(26)19-7-5-6-8-20(19)22/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 371.91 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113078848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).