2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid

C22H26ClNO3 — CID 19874287

IUPAC2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClNO3/c1-2-21(22(25)26)24-13-11-17(12-14-24)27-15-16-7-3-4-8-18(16)19-9-5-6-10-20(19)23/h3-10,17,21H,2,11-15H2,1H3,(H,25,26)
InChIKeyUWEAJCIFKCOQJW-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.85
Rot. Bonds7

About 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid

2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid (PubChem CID 19874287) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid
PubChem CID19874287
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClNO3/c1-2-21(22(25)26)24-13-11-17(12-14-24)27-15-16-7-3-4-8-18(16)19-9-5-6-10-20(19)23/h3-10,17,21H,2,11-15H2,1H3,(H,25,26)
InChIKeyUWEAJCIFKCOQJW-UHFFFAOYSA-N
XLogP4.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid (CID 19874287) is 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid?
The InChIKey is UWEAJCIFKCOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-2-21(22(25)26)24-13-11-17(12-14-24)27-15-16-7-3-4-8-18(16)19-9-5-6-10-20(19)23/h3-10,17,21H,2,11-15H2,1H3,(H,25,26).
What are the key properties of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid?
2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid has a molecular weight of 387.91 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 19874287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).