1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid

C19H28ClNO6 — CID 2888311

IUPAC1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
SMILESCc1cccc(Cl)c1OCCOCCN1CCC(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO2.C2H2O4/c1-14-6-8-19(9-7-14)10-11-20-12-13-21-17-15(2)4-3-5-16(17)18;3-1(4)2(5)6/h3-5,14H,6-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeySPGYRDYZIPHGNY-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.93
Rot. Bonds7

About 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid

1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid (PubChem CID 2888311) has the molecular formula C19H28ClNO6 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
PubChem CID2888311
Molecular FormulaC19H28ClNO6
Molecular Weight401.89 g/mol
Exact Mass401.16
IUPAC Name1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
SMILESCc1cccc(Cl)c1OCCOCCN1CCC(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO2.C2H2O4/c1-14-6-8-19(9-7-14)10-11-20-12-13-21-17-15(2)4-3-5-16(17)18;3-1(4)2(5)6/h3-5,14H,6-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeySPGYRDYZIPHGNY-UHFFFAOYSA-N
XLogP2.93
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 16616242
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
N-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869886
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The IUPAC name of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid (CID 2888311) is 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid is Cc1cccc(Cl)c1OCCOCCN1CCC(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The InChIKey is SPGYRDYZIPHGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2.C2H2O4/c1-14-6-8-19(9-7-14)10-11-20-12-13-21-17-15(2)4-3-5-16(17)18;3-1(4)2(5)6/h3-5,14H,6-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid has a molecular weight of 401.89 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid is sourced from PubChem (CID 2888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).