benzoic acid;piperidine

C12H17NO2 — CID 6452737

IUPACbenzoic acid;piperidine
SMILESC1CCNCC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C5H11N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,(H,8,9);6H,1-5H2
InChIKeyQJIJQNUQORKBKY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds1

About benzoic acid;piperidine

benzoic acid;piperidine (PubChem CID 6452737) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzoic acid;piperidine.

Molecular Properties

Compound Namebenzoic acid;piperidine
PubChem CID6452737
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzoic acid;piperidine
SMILESC1CCNCC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C5H11N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,(H,8,9);6H,1-5H2
InChIKeyQJIJQNUQORKBKY-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;piperidine?
The IUPAC name of benzoic acid;piperidine (CID 6452737) is benzoic acid;piperidine.
What is the SMILES notation for benzoic acid;piperidine?
The canonical SMILES for benzoic acid;piperidine is C1CCNCC1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;piperidine?
The InChIKey is QJIJQNUQORKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C5H11N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,(H,8,9);6H,1-5H2.
What are the key properties of benzoic acid;piperidine?
benzoic acid;piperidine has a molecular weight of 207.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;piperidine is sourced from PubChem (CID 6452737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).