2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid

C10H19NO3 — CID 82397293

IUPAC2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid
SMILESCCOC1CCN(C)CC1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-14-9-4-5-11(2)7-8(9)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRRBAKMKAXPWMQC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid

2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid (PubChem CID 82397293) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid
PubChem CID82397293
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid
SMILESCCOC1CCN(C)CC1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-14-9-4-5-11(2)7-8(9)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRRBAKMKAXPWMQC-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid
CID 123240173
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-3-yl]acetic acid
CID 55105239
Ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231
3-(2-Ethoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 17851627
2-(1-Ethylpiperidin-3-yl)acetic acid
CID 17934565
Ethyl 2-(1-methylpiperidin-3-yl)acetate
CID 20662468
3-Hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid
CID 20719702
Tert-butyl 4-(3-ethoxy-3-oxopropyl)-4-hydroxypiperidine-1-carboxylate
CID 21955349
Ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate
CID 54066112
Ethyl 2-(1-butylpiperidin-3-yl)acetate
CID 54131124
4-Hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid
CID 59843346

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid (CID 82397293) is 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid is CCOC1CCN(C)CC1CC(=O)O.
What is the InChIKey of 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid?
The InChIKey is RRBAKMKAXPWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-9-4-5-11(2)7-8(9)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid?
2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-1-methylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 82397293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).