2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid

C15H25NO3 — CID 114228011

IUPAC2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-15(18)12-19-14-8-10-16(11-9-14)13-6-4-2-1-3-5-7-13/h4,6,13-14H,1-3,5,7-12H2,(H,17,18)/b6-4-
InChIKeyKQRDTWOWFMRRDU-XQRVVYSFSA-N
MW267.37 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid

2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid (PubChem CID 114228011) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
PubChem CID114228011
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-15(18)12-19-14-8-10-16(11-9-14)13-6-4-2-1-3-5-7-13/h4,6,13-14H,1-3,5,7-12H2,(H,17,18)/b6-4-
InChIKeyKQRDTWOWFMRRDU-XQRVVYSFSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid (CID 114228011) is 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C2/C=C\CCCCC2)CC1.
What is the InChIKey of 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid?
The InChIKey is KQRDTWOWFMRRDU-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H25NO3/c17-15(18)12-19-14-8-10-16(11-9-14)13-6-4-2-1-3-5-7-13/h4,6,13-14H,1-3,5,7-12H2,(H,17,18)/b6-4-.
What are the key properties of 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114228011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).