2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid

C12H23NO4 — CID 65065379

IUPAC2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
SMILESCOCCC(C)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO4/c1-10(5-8-16-2)13-6-3-11(4-7-13)17-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyCWKCWNOLCRCFNN-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds7

About 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid

2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 65065379) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
PubChem CID65065379
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
SMILESCOCCC(C)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO4/c1-10(5-8-16-2)13-6-3-11(4-7-13)17-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyCWKCWNOLCRCFNN-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-[2-methoxyethyl(propan-2-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 82939729
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine
CID 106838031
1-(4-methoxybutan-2-yl)-4-methylpiperidin-3-ol
CID 103898067
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065474
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065324
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid (CID 65065379) is 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid is COCCC(C)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is CWKCWNOLCRCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(5-8-16-2)13-6-3-11(4-7-13)17-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).