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

C15H21NO3 — CID 105346215

IUPAC2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
SMILESCC1CN(Cc2ccc(CC(=O)O)cc2)CCC1O
InChIInChI=1S/C15H21NO3/c1-11-9-16(7-6-14(11)17)10-13-4-2-12(3-5-13)8-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeyBMWIGVCYZBXBMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds4

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

2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid (PubChem CID 105346215) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
PubChem CID105346215
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
SMILESCC1CN(Cc2ccc(CC(=O)O)cc2)CCC1O
InChIInChI=1S/C15H21NO3/c1-11-9-16(7-6-14(11)17)10-13-4-2-12(3-5-13)8-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeyBMWIGVCYZBXBMX-UHFFFAOYSA-N
XLogP1.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]acetic acid
CID 105346116
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
5-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 114679118
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid (CID 105346215) is 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid is CC1CN(Cc2ccc(CC(=O)O)cc2)CCC1O.
What is the InChIKey of 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid?
The InChIKey is BMWIGVCYZBXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-16(7-6-14(11)17)10-13-4-2-12(3-5-13)8-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid?
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 105346215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).