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

C21H24ClNO3 — CID 19874234

IUPAC2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClNO3/c1-15(21(24)25)23-12-10-17(11-13-23)26-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)22/h2-9,15,17H,10-14H2,1H3,(H,24,25)
InChIKeyKHFCYQKVNQTKTK-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.46
Rot. Bonds6

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

2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid (PubChem CID 19874234) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid
PubChem CID19874234
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClNO3/c1-15(21(24)25)23-12-10-17(11-13-23)26-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)22/h2-9,15,17H,10-14H2,1H3,(H,24,25)
InChIKeyKHFCYQKVNQTKTK-UHFFFAOYSA-N
XLogP4.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]butanoic acid
CID 19874287
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
2-[4-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 70366433
2-[4-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]pentanoic acid;hydrochloride
CID 67831661
but-2-enedioic acid;2-[4-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]pentanoic acid
CID 67903127
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
CID 46743856
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759
(2R)-2-[(3R)-3-[2-(3,4-dichlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid
CID 129395497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid (CID 19874234) is 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid is CC(C(=O)O)N1CCC(OCc2ccccc2-c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid?
The InChIKey is KHFCYQKVNQTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-15(21(24)25)23-12-10-17(11-13-23)26-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)22/h2-9,15,17H,10-14H2,1H3,(H,24,25).
What are the key properties of 2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid?
2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid has a molecular weight of 373.88 g/mol, XLogP of 4.46, 6 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]propanoic acid is sourced from PubChem (CID 19874234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).