4-octoxypiperidine

C13H27NO — CID 43128507

IUPAC4-octoxypiperidine
SMILESCCCCCCCCOC1CCNCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h13-14H,2-12H2,1H3
InChIKeyPCYMRUIEMBJYKI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds8

About 4-octoxypiperidine

4-octoxypiperidine (PubChem CID 43128507) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-octoxypiperidine.

Molecular Properties

Compound Name4-octoxypiperidine
PubChem CID43128507
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-octoxypiperidine
SMILESCCCCCCCCOC1CCNCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h13-14H,2-12H2,1H3
InChIKeyPCYMRUIEMBJYKI-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sedridine
CID 164633
4-Propoxypiperidine
CID 11492037
1-(Piperidin-2-yl)propan-2-ol
CID 12305987
4-(Propan-2-yloxy)piperidine
CID 21501982
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
(2R)-1-[(2S)-piperidin-2-yl]pentan-2-ol
CID 11355750
Zrxauosecwydma-dtwkunhwsa-
CID 21599719
1-Piperidin-2-ylbutan-2-ol
CID 73812584
2-Piperidineethanol, alpha-methyl-, (R*,R*)-(+-)-
CID 213522
2-(3-Methoxypropyl)piperidine
CID 4712039
2-[2-(Tert-butoxy)ethyl]piperidine
CID 10797616
4-Butoxypiperidine
CID 22485389

Frequently Asked Questions

What is the IUPAC name of 4-octoxypiperidine?
The IUPAC name of 4-octoxypiperidine (CID 43128507) is 4-octoxypiperidine.
What is the SMILES notation for 4-octoxypiperidine?
The canonical SMILES for 4-octoxypiperidine is CCCCCCCCOC1CCNCC1.
What is the InChIKey of 4-octoxypiperidine?
The InChIKey is PCYMRUIEMBJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h13-14H,2-12H2,1H3.
What are the key properties of 4-octoxypiperidine?
4-octoxypiperidine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxypiperidine is sourced from PubChem (CID 43128507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).