1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid

C19H26FNO5 — CID 70056141

IUPAC1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
SMILESFc1ccc(OCCC2CCN(CC3CC3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H24FNO.C2H2O4/c18-16-3-5-17(6-4-16)20-12-9-14-7-10-19(11-8-14)13-15-1-2-15;3-1(4)2(5)6/h3-6,14-15H,1-2,7-13H2;(H,3,4)(H,5,6)
InChIKeyHFCUWVLQJOECJZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.87
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid

1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid (PubChem CID 70056141) has the molecular formula C19H26FNO5 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
PubChem CID70056141
Molecular FormulaC19H26FNO5
Molecular Weight367.42 g/mol
Exact Mass367.18
IUPAC Name1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
SMILESFc1ccc(OCCC2CCN(CC3CC3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H24FNO.C2H2O4/c18-16-3-5-17(6-4-16)20-12-9-14-7-10-19(11-8-14)13-15-1-2-15;3-1(4)2(5)6/h3-6,14-15H,1-2,7-13H2;(H,3,4)(H,5,6)
InChIKeyHFCUWVLQJOECJZ-UHFFFAOYSA-N
XLogP2.87
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.87
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

3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-(4-fluorophenyl)-3-[2-[4-(2-phenoxyethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 22390759
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 66995897

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid (CID 70056141) is 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid is Fc1ccc(OCCC2CCN(CC3CC3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is HFCUWVLQJOECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO.C2H2O4/c18-16-3-5-17(6-4-16)20-12-9-14-7-10-19(11-8-14)13-15-1-2-15;3-1(4)2(5)6/h3-6,14-15H,1-2,7-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid?
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 367.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 70056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).