1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine

C25H30FN5 — CID 143935538

IUPAC1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
SMILESFc1ccc(N2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.[H]N=C(N)N
InChIInChI=1S/C24H25FN2.CH5N3/c25-22-11-13-23(14-12-22)26-15-17-27(18-16-26)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20;2-1(3)4/h1-14,24H,15-19H2;(H5,2,3,4)
InChIKeyDAWUGMUSAXKMDG-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.77
Rot. Bonds5

About 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine

1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine (PubChem CID 143935538) has the molecular formula C25H30FN5 and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
PubChem CID143935538
Molecular FormulaC25H30FN5
Molecular Weight419.55 g/mol
Exact Mass419.25
IUPAC Name1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
SMILESFc1ccc(N2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.[H]N=C(N)N
InChIInChI=1S/C24H25FN2.CH5N3/c25-22-11-13-23(14-12-22)26-15-17-27(18-16-26)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20;2-1(3)4/h1-14,24H,15-19H2;(H5,2,3,4)
InChIKeyDAWUGMUSAXKMDG-UHFFFAOYSA-N
XLogP3.77
TPSA82.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 27153354
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
benzyl N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]carbamate
CID 43957003
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 22517332
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylethyl]phenol;hydrate;dihydrochloride
CID 70600653

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine?
The IUPAC name of 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine (CID 143935538) is 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine.
What is the SMILES notation for 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine?
The canonical SMILES for 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine is Fc1ccc(N2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.[H]N=C(N)N.
What is the InChIKey of 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine?
The InChIKey is DAWUGMUSAXKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2.CH5N3/c25-22-11-13-23(14-12-22)26-15-17-27(18-16-26)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20;2-1(3)4/h1-14,24H,15-19H2;(H5,2,3,4).
What are the key properties of 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine?
1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine has a molecular weight of 419.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine is sourced from PubChem (CID 143935538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).