phthalate;bis(piperidin-1-ium)

C18H28N2O4 — CID 15848823

IUPACphthalate;bis(piperidin-1-ium)
SMILESC1CC[NH2+]CC1.C1CC[NH2+]CC1.O=C([O-])c1ccccc1C(=O)[O-]
InChIInChI=1S/C8H6O4.2C5H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-4-6-5-3-1/h1-4H,(H,9,10)(H,11,12);2*6H,1-5H2
InChIKeyCXNBOKKEIQPVCP-UHFFFAOYSA-N
MW336.43 g/mol
LogP-2.12
Rot. Bonds2

About phthalate;bis(piperidin-1-ium)

phthalate;bis(piperidin-1-ium) (PubChem CID 15848823) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is phthalate;bis(piperidin-1-ium).

Molecular Properties

Compound Namephthalate;bis(piperidin-1-ium)
PubChem CID15848823
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namephthalate;bis(piperidin-1-ium)
SMILESC1CC[NH2+]CC1.C1CC[NH2+]CC1.O=C([O-])c1ccccc1C(=O)[O-]
InChIInChI=1S/C8H6O4.2C5H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-4-6-5-3-1/h1-4H,(H,9,10)(H,11,12);2*6H,1-5H2
InChIKeyCXNBOKKEIQPVCP-UHFFFAOYSA-N
XLogP-2.12
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(piperidin-4-yl)benzoate hydrochloride
CID 18614359
Einecs 226-120-5
CID 6452737
Piperidinium benzoate
CID 57350538
Bis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 1513129
Tert-butyl 2-(piperidin-4-yl)benzoate
CID 75481688
2-(Piperidin-4-yl)benzoic acid hydrochloride
CID 122163549
AG-G-59995
CID 12049480
Piperidinium terephthalate
CID 15763676
Tetraethylammonium phthalate
CID 21903096
Dicyclohexylazanium benzoate
CID 66863087
Piperazinium benzoate
CID 69594119
Ethylenediammonium phthalate
CID 74765933

Frequently Asked Questions

What is the IUPAC name of phthalate;bis(piperidin-1-ium)?
The IUPAC name of phthalate;bis(piperidin-1-ium) (CID 15848823) is phthalate;bis(piperidin-1-ium).
What is the SMILES notation for phthalate;bis(piperidin-1-ium)?
The canonical SMILES for phthalate;bis(piperidin-1-ium) is C1CC[NH2+]CC1.C1CC[NH2+]CC1.O=C([O-])c1ccccc1C(=O)[O-].
What is the InChIKey of phthalate;bis(piperidin-1-ium)?
The InChIKey is CXNBOKKEIQPVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C5H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-4-6-5-3-1/h1-4H,(H,9,10)(H,11,12);2*6H,1-5H2.
What are the key properties of phthalate;bis(piperidin-1-ium)?
phthalate;bis(piperidin-1-ium) has a molecular weight of 336.43 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalate;bis(piperidin-1-ium) is sourced from PubChem (CID 15848823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).