1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine

C26H38N6 — CID 3006252

IUPAC1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
SMILESCN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1
InChIInChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3
InChIKeyIDRQWHHJOQTROJ-UHFFFAOYSA-N
MW434.63 g/mol
LogP2.76
Rot. Bonds4

About 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine

1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine (PubChem CID 3006252) has the molecular formula C26H38N6 and a molecular weight of 434.63 g/mol. Its IUPAC name is 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
PubChem CID3006252
Molecular FormulaC26H38N6
Molecular Weight434.63 g/mol
Exact Mass434.32
IUPAC Name1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
SMILESCN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1
InChIInChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3
InChIKeyIDRQWHHJOQTROJ-UHFFFAOYSA-N
XLogP2.76
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Histapyrrodine
CID 68122
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
GNF-Pf-4385
CID 759333
4-(Pyrrolidin-1-Yl)-1-{4-[2-(Pyrrolidin-1-Yl)ethyl]phenyl}piperidine
CID 71598546
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
Hexahydro-1,3,5-tris(4-methylphenyl)-1,3,5-triazine
CID 81140
N-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N'-phenylurea
CID 5307426
(3aR,6aR)-1-(4-Benzyl-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole
CID 24743745
4-Pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropyl)phenyl]piperidine
CID 76318507
4-Pyrrolidin-1-yl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine
CID 76322168

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The IUPAC name of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine (CID 3006252) is 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine.
What is the SMILES notation for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The canonical SMILES for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine is CN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1.
What is the InChIKey of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The InChIKey is IDRQWHHJOQTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3.
What are the key properties of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine has a molecular weight of 434.63 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine is sourced from PubChem (CID 3006252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).