1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine

C23H32N4 — CID 134565672

IUPAC1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
SMILESc1ccc(CCN2CCN(c3ccc(CN4CCNCC4)cc3)CC2)cc1
InChIInChI=1S/C23H32N4/c1-2-4-21(5-3-1)10-13-25-16-18-27(19-17-25)23-8-6-22(7-9-23)20-26-14-11-24-12-15-26/h1-9,24H,10-20H2
InChIKeyZKIQIYBJFMGOFZ-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.46
Rot. Bonds6

About 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine

1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine (PubChem CID 134565672) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
PubChem CID134565672
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
SMILESc1ccc(CCN2CCN(c3ccc(CN4CCNCC4)cc3)CC2)cc1
InChIInChI=1S/C23H32N4/c1-2-4-21(5-3-1)10-13-25-16-18-27(19-17-25)23-8-6-22(7-9-23)20-26-14-11-24-12-15-26/h1-9,24H,10-20H2
InChIKeyZKIQIYBJFMGOFZ-UHFFFAOYSA-N
XLogP2.46
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
azane;1-benzylpiperazine
CID 174866973
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
1-(4-benzylphenyl)piperazine
CID 4738749
1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
CID 4741784
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine?
The IUPAC name of 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine (CID 134565672) is 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine is c1ccc(CCN2CCN(c3ccc(CN4CCNCC4)cc3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine?
The InChIKey is ZKIQIYBJFMGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-2-4-21(5-3-1)10-13-25-16-18-27(19-17-25)23-8-6-22(7-9-23)20-26-14-11-24-12-15-26/h1-9,24H,10-20H2.
What are the key properties of 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine?
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine has a molecular weight of 364.54 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine is sourced from PubChem (CID 134565672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).