4-piperidin-1-ium-4-ylbutan-1-ol

C9H20NO+ — CID 86306199

IUPAC4-piperidin-1-ium-4-ylbutan-1-ol
SMILESOCCCCC1CC[NH2+]CC1
InChIInChI=1S/C9H19NO/c11-8-2-1-3-9-4-6-10-7-5-9/h9-11H,1-8H2/p+1
InChIKeyYRKCHKQZWFMCPB-UHFFFAOYSA-O
MW158.26 g/mol
LogP0.12
Rot. Bonds4

About 4-piperidin-1-ium-4-ylbutan-1-ol

4-piperidin-1-ium-4-ylbutan-1-ol (PubChem CID 86306199) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 4-piperidin-1-ium-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-piperidin-1-ium-4-ylbutan-1-ol
PubChem CID86306199
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name4-piperidin-1-ium-4-ylbutan-1-ol
SMILESOCCCCC1CC[NH2+]CC1
InChIInChI=1S/C9H19NO/c11-8-2-1-3-9-4-6-10-7-5-9/h9-11H,1-8H2/p+1
InChIKeyYRKCHKQZWFMCPB-UHFFFAOYSA-O
XLogP0.12
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-piperidin-1-ium-4-ylbutan-1-ol?
The IUPAC name of 4-piperidin-1-ium-4-ylbutan-1-ol (CID 86306199) is 4-piperidin-1-ium-4-ylbutan-1-ol.
What is the SMILES notation for 4-piperidin-1-ium-4-ylbutan-1-ol?
The canonical SMILES for 4-piperidin-1-ium-4-ylbutan-1-ol is OCCCCC1CC[NH2+]CC1.
What is the InChIKey of 4-piperidin-1-ium-4-ylbutan-1-ol?
The InChIKey is YRKCHKQZWFMCPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c11-8-2-1-3-9-4-6-10-7-5-9/h9-11H,1-8H2/p+1.
What are the key properties of 4-piperidin-1-ium-4-ylbutan-1-ol?
4-piperidin-1-ium-4-ylbutan-1-ol has a molecular weight of 158.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ium-4-ylbutan-1-ol is sourced from PubChem (CID 86306199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).