4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid

C22H29NO5 — CID 2888640

IUPAC4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
SMILESCC1CCN(CCCCOc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H27NO.C2H2O4/c1-17-10-13-21(14-11-17)12-4-5-15-22-20-9-8-18-6-2-3-7-19(18)16-20;3-1(4)2(5)6/h2-3,6-9,16-17H,4-5,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyXMYXWWDILIVKJS-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.89
Rot. Bonds6

About 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid

4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid (PubChem CID 2888640) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid.

Molecular Properties

Compound Name4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
PubChem CID2888640
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
SMILESCC1CCN(CCCCOc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H27NO.C2H2O4/c1-17-10-13-21(14-11-17)12-4-5-15-22-20-9-8-18-6-2-3-7-19(18)16-20;3-1(4)2(5)6/h2-3,6-9,16-17H,4-5,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyXMYXWWDILIVKJS-UHFFFAOYSA-N
XLogP3.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
(E)-3-[4-[10-(4-methylpiperidin-1-yl)decoxy]phenyl]-1-phenylprop-2-en-1-one
CID 24874230
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
(E)-3-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102881
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
3-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 78971549
(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
CID 86885930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid?
The IUPAC name of 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid (CID 2888640) is 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid.
What is the SMILES notation for 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid?
The canonical SMILES for 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid is CC1CCN(CCCCOc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid?
The InChIKey is XMYXWWDILIVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO.C2H2O4/c1-17-10-13-21(14-11-17)12-4-5-15-22-20-9-8-18-6-2-3-7-19(18)16-20;3-1(4)2(5)6/h2-3,6-9,16-17H,4-5,10-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid?
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid has a molecular weight of 387.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid is sourced from PubChem (CID 2888640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).