oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine

C23H32N2O9 — CID 23150757

IUPACoxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H28N2O.2C2H2O4/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19;2*3-1(4)2(5)6/h8-11H,1-7,12-16H2;2*(H,3,4)(H,5,6)
InChIKeyGIODLTRAYOHMKE-UHFFFAOYSA-N
MW480.51 g/mol
LogP2.23
Rot. Bonds6

About oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine

oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine (PubChem CID 23150757) has the molecular formula C23H32N2O9 and a molecular weight of 480.51 g/mol. Its IUPAC name is oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Nameoxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
PubChem CID23150757
Molecular FormulaC23H32N2O9
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Nameoxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H28N2O.2C2H2O4/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19;2*3-1(4)2(5)6/h8-11H,1-7,12-16H2;2*(H,3,4)(H,5,6)
InChIKeyGIODLTRAYOHMKE-UHFFFAOYSA-N
XLogP2.23
TPSA174.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
(3R,5R)-3,5-dimethyl-1-[3-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenoxy]propyl]piperidine;oxalic acid
CID 162312541
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
CID 141200350
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322

Frequently Asked Questions

What is the IUPAC name of oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine (CID 23150757) is oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine is O=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is GIODLTRAYOHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.2C2H2O4/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19;2*3-1(4)2(5)6/h8-11H,1-7,12-16H2;2*(H,3,4)(H,5,6).
What are the key properties of oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 480.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 23150757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).