3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid

C23H30N2O7 — CID 44668223

IUPAC3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid
SMILESCOc1ccccc1OCCOCCN1CCCCC1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O3.C2H2O4/c1-24-20-9-2-3-10-21(20)26-16-15-25-14-13-23-12-5-4-8-19(23)18-7-6-11-22-17-18;3-1(4)2(5)6/h2-3,6-7,9-11,17,19H,4-5,8,12-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUWGPGCTHOYIAB-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.87
Rot. Bonds9

About 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid

3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid (PubChem CID 44668223) has the molecular formula C23H30N2O7 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid.

Molecular Properties

Compound Name3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid
PubChem CID44668223
Molecular FormulaC23H30N2O7
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid
SMILESCOc1ccccc1OCCOCCN1CCCCC1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O3.C2H2O4/c1-24-20-9-2-3-10-21(20)26-16-15-25-14-13-23-12-5-4-8-19(23)18-7-6-11-22-17-18;3-1(4)2(5)6/h2-3,6-7,9-11,17,19H,4-5,8,12-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUWGPGCTHOYIAB-UHFFFAOYSA-N
XLogP2.87
TPSA118.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine;oxalic acid
CID 44667573
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine
CID 40637375
3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
CID 40805651
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid?
The IUPAC name of 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid (CID 44668223) is 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid.
What is the SMILES notation for 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid?
The canonical SMILES for 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid is COc1ccccc1OCCOCCN1CCCCC1c1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid?
The InChIKey is JUWGPGCTHOYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.C2H2O4/c1-24-20-9-2-3-10-21(20)26-16-15-25-14-13-23-12-5-4-8-19(23)18-7-6-11-22-17-18;3-1(4)2(5)6/h2-3,6-7,9-11,17,19H,4-5,8,12-16H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid?
3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid has a molecular weight of 446.50 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid is sourced from PubChem (CID 44668223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).