2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid

C16H23NO4 — CID 65065761

IUPAC2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCCOc1cccc(CN2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO4/c1-2-20-15-5-3-4-13(10-15)11-17-8-6-14(7-9-17)21-12-16(18)19/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,18,19)
InChIKeyQWSOPXOGBCIUBH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.15
Rot. Bonds7

About 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065761) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065761
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCCOc1cccc(CN2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO4/c1-2-20-15-5-3-4-13(10-15)11-17-8-6-14(7-9-17)21-12-16(18)19/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,18,19)
InChIKeyQWSOPXOGBCIUBH-UHFFFAOYSA-N
XLogP2.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065469
3-[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909479
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid (CID 65065761) is 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid is CCOc1cccc(CN2CCC(OCC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is QWSOPXOGBCIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-15-5-3-4-13(10-15)11-17-8-6-14(7-9-17)21-12-16(18)19/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).