(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone

C20H23ClN2O — CID 113076207

IUPAC(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15(2)16-7-9-17(10-8-16)22-11-13-23(14-12-22)20(24)18-5-3-4-6-19(18)21/h3-10,15H,11-14H2,1-2H3
InChIKeyKZGDOGVHWDVLKQ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.43
Rot. Bonds3

About (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113076207) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
PubChem CID113076207
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15(2)16-7-9-17(10-8-16)22-11-13-23(14-12-22)20(24)18-5-3-4-6-19(18)21/h3-10,15H,11-14H2,1-2H3
InChIKeyKZGDOGVHWDVLKQ-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078848
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
(1R,6S)-6-[[2-[4-(4-propan-2-ylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 982024
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 22334363

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone (CID 113076207) is (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone is CC(C)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is KZGDOGVHWDVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15(2)16-7-9-17(10-8-16)22-11-13-23(14-12-22)20(24)18-5-3-4-6-19(18)21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 342.87 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113076207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).