oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine

C19H28N2O4 — CID 16682350

IUPACoxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(Nc2ccccc2)CC(C)N(C)CC1C.O=C(O)C(=O)O
InChIInChI=1S/C17H26N2.C2H2O4/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2;3-1(4)2(5)6/h5-10,14-15,18H,1,11-13H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyPIRYHOACSVWFJL-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds4

About oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine

oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine (PubChem CID 16682350) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Nameoxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
PubChem CID16682350
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameoxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(Nc2ccccc2)CC(C)N(C)CC1C.O=C(O)C(=O)O
InChIInChI=1S/C17H26N2.C2H2O4/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2;3-1(4)2(5)6/h5-10,14-15,18H,1,11-13H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyPIRYHOACSVWFJL-UHFFFAOYSA-N
XLogP2.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The IUPAC name of oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine (CID 16682350) is oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The canonical SMILES for oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine is C=CCC1(Nc2ccccc2)CC(C)N(C)CC1C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The InChIKey is PIRYHOACSVWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H2O4/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2;3-1(4)2(5)6/h5-10,14-15,18H,1,11-13H2,2-4H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 16682350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).