3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid

C21H33NO5 — CID 2934212

IUPAC3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid
SMILESCc1cc(C)c(C)c(OCCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO.C2H2O4/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20;3-1(4)2(5)6/h10-11,15-16H,6-9,12-13H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyZXZCHQVCOXIELH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.51
Rot. Bonds5

About 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid

3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid (PubChem CID 2934212) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid
PubChem CID2934212
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid
SMILESCc1cc(C)c(C)c(OCCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO.C2H2O4/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20;3-1(4)2(5)6/h10-11,15-16H,6-9,12-13H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyZXZCHQVCOXIELH-UHFFFAOYSA-N
XLogP3.51
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.51
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

(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2181589
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99948161
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2057820
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
CID 2216167
N-tert-butyl-4-(2,3,5-trimethylphenoxy)butan-1-amine;oxalic acid
CID 2865538
(3S,5S)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184296
3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
CID 2924114
1-[3-(3,4-dimethylphenoxy)propyl]-5-methylpiperidine-3-carboxylic acid
CID 122121422
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934238
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid?
The IUPAC name of 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid (CID 2934212) is 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid.
What is the SMILES notation for 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid?
The canonical SMILES for 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid is Cc1cc(C)c(C)c(OCCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid?
The InChIKey is ZXZCHQVCOXIELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.C2H2O4/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20;3-1(4)2(5)6/h10-11,15-16H,6-9,12-13H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid?
3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid has a molecular weight of 379.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid is sourced from PubChem (CID 2934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).