1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid

C19H29NO7 — CID 2865673

IUPAC1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid
SMILESCOc1cccc(OC)c1OCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO3.C2H2O4/c1-19-15-9-8-10-16(20-2)17(15)21-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10H,3-7,11-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMWLOVLAUPUVKNJ-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.50
Rot. Bonds8

About 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid

1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid (PubChem CID 2865673) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid
PubChem CID2865673
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Name1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid
SMILESCOc1cccc(OC)c1OCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO3.C2H2O4/c1-19-15-9-8-10-16(20-2)17(15)21-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10H,3-7,11-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMWLOVLAUPUVKNJ-UHFFFAOYSA-N
XLogP2.50
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid?
The IUPAC name of 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid (CID 2865673) is 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid?
The canonical SMILES for 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid is COc1cccc(OC)c1OCCCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid?
The InChIKey is MWLOVLAUPUVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C2H2O4/c1-19-15-9-8-10-16(20-2)17(15)21-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10H,3-7,11-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid?
1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid has a molecular weight of 383.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethoxyphenoxy)butyl]piperidine;oxalic acid is sourced from PubChem (CID 2865673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).