1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid

C17H24ClNO5 — CID 2935315

IUPAC1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
SMILESCc1ccc(Cl)c(OCCN2CCCC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClNO.C2H2O4/c1-12-5-6-14(16)15(10-12)18-9-8-17-7-3-4-13(2)11-17;3-1(4)2(5)6/h5-6,10,13H,3-4,7-9,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPCVQJLPGUGMJLG-UHFFFAOYSA-N
MW357.83 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid

1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid (PubChem CID 2935315) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
PubChem CID2935315
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
SMILESCc1ccc(Cl)c(OCCN2CCCC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClNO.C2H2O4/c1-12-5-6-14(16)15(10-12)18-9-8-17-7-3-4-13(2)11-17;3-1(4)2(5)6/h5-6,10,13H,3-4,7-9,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPCVQJLPGUGMJLG-UHFFFAOYSA-N
XLogP2.91
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid?
The IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid (CID 2935315) is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid is Cc1ccc(Cl)c(OCCN2CCCC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid?
The InChIKey is PCVQJLPGUGMJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.C2H2O4/c1-12-5-6-14(16)15(10-12)18-9-8-17-7-3-4-13(2)11-17;3-1(4)2(5)6/h5-6,10,13H,3-4,7-9,11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid?
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid has a molecular weight of 357.83 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid is sourced from PubChem (CID 2935315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).