3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid

C21H27NO5 — CID 2924114

IUPAC3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
SMILESCC1CC(C)CN(CCOc2cccc3ccccc23)C1.O=C(O)C(=O)O
InChIInChI=1S/C19H25NO.C2H2O4/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19;3-1(4)2(5)6/h3-9,15-16H,10-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYJWHMBVCBSKXJK-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.35
Rot. Bonds4

About 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid

3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid (PubChem CID 2924114) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
PubChem CID2924114
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
SMILESCC1CC(C)CN(CCOc2cccc3ccccc23)C1.O=C(O)C(=O)O
InChIInChI=1S/C19H25NO.C2H2O4/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19;3-1(4)2(5)6/h3-9,15-16H,10-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYJWHMBVCBSKXJK-UHFFFAOYSA-N
XLogP3.35
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
[1-(2-naphthalen-1-yloxyethyl)azetidin-3-yl]methanamine
CID 71151801
3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
CID 2934230
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid?
The IUPAC name of 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid (CID 2924114) is 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid.
What is the SMILES notation for 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid?
The canonical SMILES for 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid is CC1CC(C)CN(CCOc2cccc3ccccc23)C1.O=C(O)C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid?
The InChIKey is YJWHMBVCBSKXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.C2H2O4/c1-15-12-16(2)14-20(13-15)10-11-21-19-9-5-7-17-6-3-4-8-18(17)19;3-1(4)2(5)6/h3-9,15-16H,10-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid?
3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid has a molecular weight of 373.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid is sourced from PubChem (CID 2924114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).