(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone

C22H29N3O — CID 1202369

IUPAC(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)21-12-10-20(11-13-21)22(26)25-16-14-23(15-17-25)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3
InChIKeyZUAMAKQCRPFAFE-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.49
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone (PubChem CID 1202369) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
PubChem CID1202369
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)21-12-10-20(11-13-21)22(26)25-16-14-23(15-17-25)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3
InChIKeyZUAMAKQCRPFAFE-UHFFFAOYSA-N
XLogP3.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone (CID 1202369) is (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone is CCN(CC)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The InChIKey is ZUAMAKQCRPFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24(4-2)21-12-10-20(11-13-21)22(26)25-16-14-23(15-17-25)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone has a molecular weight of 351.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone is sourced from PubChem (CID 1202369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).