2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid

C12H22N2O3 — CID 68693446

IUPAC2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-12(16)9-17-11-3-7-14(8-4-11)10-1-5-13-6-2-10/h10-11,13H,1-9H2,(H,15,16)
InChIKeyXBTGYOKMBWXNEN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.30
Rot. Bonds4

About 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid

2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid (PubChem CID 68693446) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
PubChem CID68693446
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-12(16)9-17-11-3-7-14(8-4-11)10-1-5-13-6-2-10/h10-11,13H,1-9H2,(H,15,16)
InChIKeyXBTGYOKMBWXNEN-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid (CID 68693446) is 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid is O=C(O)COC1CCN(C2CCNCC2)CC1.
What is the InChIKey of 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid?
The InChIKey is XBTGYOKMBWXNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-12(16)9-17-11-3-7-14(8-4-11)10-1-5-13-6-2-10/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid?
2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 68693446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).