7-piperidin-4-ylheptanoic acid

C12H23NO2 — CID 57216305

IUPAC7-piperidin-4-ylheptanoic acid
SMILESO=C(O)CCCCCCC1CCNCC1
InChIInChI=1S/C12H23NO2/c14-12(15)6-4-2-1-3-5-11-7-9-13-10-8-11/h11,13H,1-10H2,(H,14,15)
InChIKeyIGYIAOXPUHIWCC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds7

About 7-piperidin-4-ylheptanoic acid

7-piperidin-4-ylheptanoic acid (PubChem CID 57216305) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 7-piperidin-4-ylheptanoic acid.

Molecular Properties

Compound Name7-piperidin-4-ylheptanoic acid
PubChem CID57216305
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name7-piperidin-4-ylheptanoic acid
SMILESO=C(O)CCCCCCC1CCNCC1
InChIInChI=1S/C12H23NO2/c14-12(15)6-4-2-1-3-5-11-7-9-13-10-8-11/h11,13H,1-10H2,(H,14,15)
InChIKeyIGYIAOXPUHIWCC-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-ylheptanoic acid?
The IUPAC name of 7-piperidin-4-ylheptanoic acid (CID 57216305) is 7-piperidin-4-ylheptanoic acid.
What is the SMILES notation for 7-piperidin-4-ylheptanoic acid?
The canonical SMILES for 7-piperidin-4-ylheptanoic acid is O=C(O)CCCCCCC1CCNCC1.
What is the InChIKey of 7-piperidin-4-ylheptanoic acid?
The InChIKey is IGYIAOXPUHIWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-12(15)6-4-2-1-3-5-11-7-9-13-10-8-11/h11,13H,1-10H2,(H,14,15).
What are the key properties of 7-piperidin-4-ylheptanoic acid?
7-piperidin-4-ylheptanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-ylheptanoic acid is sourced from PubChem (CID 57216305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).