[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone

C19H21ClN2O — CID 8623917

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClN2O/c1-15-4-2-6-17(12-15)19(23)22-10-8-21(9-11-22)14-16-5-3-7-18(20)13-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyRJXCAIRDYICICD-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.61
Rot. Bonds3

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 8623917) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID8623917
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClN2O/c1-15-4-2-6-17(12-15)19(23)22-10-8-21(9-11-22)14-16-5-3-7-18(20)13-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyRJXCAIRDYICICD-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone (CID 8623917) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is RJXCAIRDYICICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15-4-2-6-17(12-15)19(23)22-10-8-21(9-11-22)14-16-5-3-7-18(20)13-16/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 328.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 8623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).