2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid

C17H25NO3 — CID 84751470

IUPAC2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(C(C(=O)O)N2CCCCC2C)c1
InChIInChI=1S/C17H25NO3/c1-12(2)21-15-9-6-8-14(11-15)16(17(19)20)18-10-5-4-7-13(18)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,19,20)
InChIKeyRUVCCJDMKMLBJG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid

2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid (PubChem CID 84751470) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
PubChem CID84751470
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(C(C(=O)O)N2CCCCC2C)c1
InChIInChI=1S/C17H25NO3/c1-12(2)21-15-9-6-8-14(11-15)16(17(19)20)18-10-5-4-7-13(18)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,19,20)
InChIKeyRUVCCJDMKMLBJG-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 84748280
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
N-(2-methoxy-5-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-phenylacetamide
CID 3636513
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid (CID 84751470) is 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid is CC(C)Oc1cccc(C(C(=O)O)N2CCCCC2C)c1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid?
The InChIKey is RUVCCJDMKMLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)21-15-9-6-8-14(11-15)16(17(19)20)18-10-5-4-7-13(18)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid?
2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 84751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).