acetic acid;2,5-diphenylpiperazine

C18H22N2O2 — CID 157254746

IUPACacetic acid;2,5-diphenylpiperazine
SMILESCC(=O)O.c1ccc(C2CNC(c3ccccc3)CN2)cc1
InChIInChI=1S/C16H18N2.C2H4O2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-18H,11-12H2;1H3,(H,3,4)
InChIKeyAWTJGCJSGUZJPR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.75
Rot. Bonds2

About acetic acid;2,5-diphenylpiperazine

acetic acid;2,5-diphenylpiperazine (PubChem CID 157254746) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is acetic acid;2,5-diphenylpiperazine.

Molecular Properties

Compound Nameacetic acid;2,5-diphenylpiperazine
PubChem CID157254746
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameacetic acid;2,5-diphenylpiperazine
SMILESCC(=O)O.c1ccc(C2CNC(c3ccccc3)CN2)cc1
InChIInChI=1S/C16H18N2.C2H4O2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-18H,11-12H2;1H3,(H,3,4)
InChIKeyAWTJGCJSGUZJPR-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-2-phenylaziridine
CID 145185749
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
methyl 4-phenylimidazolidine-2-carboxylate
CID 121274928
(3R,4R,6R)-4,6-diphenylpiperidine-3-carboxylic acid
CID 11868274
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
ethane;4-methyl-2-phenylpyrrolidine
CID 142973679
2-methyl-4-phenylimidazolidine-2-carboxylic acid
CID 68755333
1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
5-phenylpyrrolidin-3-amine
CID 83854505
N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82248277

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,5-diphenylpiperazine?
The IUPAC name of acetic acid;2,5-diphenylpiperazine (CID 157254746) is acetic acid;2,5-diphenylpiperazine.
What is the SMILES notation for acetic acid;2,5-diphenylpiperazine?
The canonical SMILES for acetic acid;2,5-diphenylpiperazine is CC(=O)O.c1ccc(C2CNC(c3ccccc3)CN2)cc1.
What is the InChIKey of acetic acid;2,5-diphenylpiperazine?
The InChIKey is AWTJGCJSGUZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C2H4O2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-18H,11-12H2;1H3,(H,3,4).
What are the key properties of acetic acid;2,5-diphenylpiperazine?
acetic acid;2,5-diphenylpiperazine has a molecular weight of 298.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,5-diphenylpiperazine is sourced from PubChem (CID 157254746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).