2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid

C15H21NO3 — CID 102959653

IUPAC2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
SMILESCOC1CCCN(Cc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-19-14-3-2-8-16(11-14)10-13-6-4-12(5-7-13)9-15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyZNJZWKGSLZHZFK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid

2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid (PubChem CID 102959653) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
PubChem CID102959653
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
SMILESCOC1CCCN(Cc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-19-14-3-2-8-16(11-14)10-13-6-4-12(5-7-13)9-15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyZNJZWKGSLZHZFK-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid (CID 102959653) is 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid is COC1CCCN(Cc2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid?
The InChIKey is ZNJZWKGSLZHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-3-2-8-16(11-14)10-13-6-4-12(5-7-13)9-15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid?
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 102959653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).