2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid

C16H23NO3 — CID 79606010

IUPAC2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
SMILESCOc1ccccc1C(C)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-12(14-5-3-4-6-15(14)20-2)17-9-7-13(8-10-17)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyYPEVTTLRHXPDCM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid

2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 79606010) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
PubChem CID79606010
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
SMILESCOc1ccccc1C(C)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-12(14-5-3-4-6-15(14)20-2)17-9-7-13(8-10-17)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyYPEVTTLRHXPDCM-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606610
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79609925
2-[1-[2-(2-methoxyphenoxy)ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953603
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 110891645
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid (CID 79606010) is 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid is COc1ccccc1C(C)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is YPEVTTLRHXPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(14-5-3-4-6-15(14)20-2)17-9-7-13(8-10-17)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).