2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid

C16H23NO4 — CID 63904119

IUPAC2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCOc1ccc(C)cc1CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-12-3-4-15(20-2)13(9-12)10-17-7-5-14(6-8-17)21-11-16(18)19/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyOISALJYDNWZVER-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds6

About 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63904119) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID63904119
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCOc1ccc(C)cc1CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-12-3-4-15(20-2)13(9-12)10-17-7-5-14(6-8-17)21-11-16(18)19/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyOISALJYDNWZVER-UHFFFAOYSA-N
XLogP2.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065719
N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid (CID 63904119) is 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid is COc1ccc(C)cc1CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is OISALJYDNWZVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-3-4-15(20-2)13(9-12)10-17-7-5-14(6-8-17)21-11-16(18)19/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).