decanoic acid;piperidine

C15H31NO2 — CID 173189306

IUPACdecanoic acid;piperidine
SMILESC1CCNCC1.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C5H11N/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);6H,1-5H2
InChIKeyMPVJKNUBHTTYFY-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.97
Rot. Bonds8

About decanoic acid;piperidine

decanoic acid;piperidine (PubChem CID 173189306) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is decanoic acid;piperidine.

Molecular Properties

Compound Namedecanoic acid;piperidine
PubChem CID173189306
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namedecanoic acid;piperidine
SMILESC1CCNCC1.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C5H11N/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);6H,1-5H2
InChIKeyMPVJKNUBHTTYFY-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.97
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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Related Compounds

azepane;dodecanoic acid
CID 173452223
piperazine;tetradecanoic acid
CID 54603068
decanedioic acid;bis(piperidine)
CID 173189213
azane;azepane;nonanedioic acid
CID 67503607
chromium;docosanoic acid
CID 88805724
decanoic acid;propanoic acid
CID 87792095
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;dodecanoic acid;hydride
CID 172998116
docosanoic acid;tetradecane
CID 157248197
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of decanoic acid;piperidine?
The IUPAC name of decanoic acid;piperidine (CID 173189306) is decanoic acid;piperidine.
What is the SMILES notation for decanoic acid;piperidine?
The canonical SMILES for decanoic acid;piperidine is C1CCNCC1.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;piperidine?
The InChIKey is MPVJKNUBHTTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C5H11N/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);6H,1-5H2.
What are the key properties of decanoic acid;piperidine?
decanoic acid;piperidine has a molecular weight of 257.42 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;piperidine is sourced from PubChem (CID 173189306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).