2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid

C15H21NO3 — CID 23378235

IUPAC2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
SMILESCC1CCN(Cc2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-12-6-8-16(9-7-12)10-13-2-4-14(5-3-13)19-11-15(17)18/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyQSNAZGXMGKGQDP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid

2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid (PubChem CID 23378235) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
PubChem CID23378235
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
SMILESCC1CCN(Cc2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-12-6-8-16(9-7-12)10-13-2-4-14(5-3-13)19-11-15(17)18/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyQSNAZGXMGKGQDP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 74233182
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2-[4-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77080885
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
2-[4-[[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 74245862
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid (CID 23378235) is 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid is CC1CCN(Cc2ccc(OCC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid?
The InChIKey is QSNAZGXMGKGQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-6-8-16(9-7-12)10-13-2-4-14(5-3-13)19-11-15(17)18/h2-5,12H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid?
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 23378235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).