1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid

C19H29NO6 — CID 24761392

IUPAC1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
SMILESCOc1ccc(OCCCCN2CCC(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-15-9-12-18(13-10-15)11-3-4-14-20-17-7-5-16(19-2)6-8-17;3-1(4)2(5)6/h5-8,15H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPITTUVPRETULLK-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.74
Rot. Bonds7

About 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid

1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid (PubChem CID 24761392) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
PubChem CID24761392
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
SMILESCOc1ccc(OCCCCN2CCC(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-15-9-12-18(13-10-15)11-3-4-14-20-17-7-5-16(19-2)6-8-17;3-1(4)2(5)6/h5-8,15H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPITTUVPRETULLK-UHFFFAOYSA-N
XLogP2.74
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.74
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

1-[2-(4-Methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
CID 166634459
1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
[4-(2-Fluorophenoxy)butyl]dimethylamine oxalate
CID 2935506
1-[4-(4-Methoxyphenoxy)-2-butyn-1-yl]piperazine oxalate
CID 2944133
Ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)-4-piperidinecarboxylate
CID 23723453
4-Methylphenyl 6-(1-piperazinyl)hexyl ether
CID 23723896
4-[5-(4-Isopropylphenoxy)pentyl]morpholine
CID 24761434
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
1-[4-(4-Tert-butylphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24792257
1-[4-(4-Isopropylphenoxy)butyl]piperidine
CID 24792262
1-(3-Phenoxypropyl)pyrrolidine oxalate
CID 2841432
oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
CID 18986909

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid?
The IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid (CID 24761392) is 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid is COc1ccc(OCCCCN2CCC(C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid?
The InChIKey is PITTUVPRETULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H2O4/c1-15-9-12-18(13-10-15)11-3-4-14-20-17-7-5-16(19-2)6-8-17;3-1(4)2(5)6/h5-8,15H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid?
1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid has a molecular weight of 367.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid is sourced from PubChem (CID 24761392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).