4-butoxypiperidine

C9H19NO — CID 22485389

IUPAC4-butoxypiperidine
SMILESCCCCOC1CCNCC1
InChIInChI=1S/C9H19NO/c1-2-3-8-11-9-4-6-10-7-5-9/h9-10H,2-8H2,1H3
InChIKeyXGPJZKQGJWZWIM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds4

About 4-butoxypiperidine

4-butoxypiperidine (PubChem CID 22485389) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butoxypiperidine.

Molecular Properties

Compound Name4-butoxypiperidine
PubChem CID22485389
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butoxypiperidine
SMILESCCCCOC1CCNCC1
InChIInChI=1S/C9H19NO/c1-2-3-8-11-9-4-6-10-7-5-9/h9-10H,2-8H2,1H3
InChIKeyXGPJZKQGJWZWIM-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 4-butoxypiperidine?
The IUPAC name of 4-butoxypiperidine (CID 22485389) is 4-butoxypiperidine.
What is the SMILES notation for 4-butoxypiperidine?
The canonical SMILES for 4-butoxypiperidine is CCCCOC1CCNCC1.
What is the InChIKey of 4-butoxypiperidine?
The InChIKey is XGPJZKQGJWZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-8-11-9-4-6-10-7-5-9/h9-10H,2-8H2,1H3.
What are the key properties of 4-butoxypiperidine?
4-butoxypiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypiperidine is sourced from PubChem (CID 22485389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).