4-butylpiperidin-4-ol

C9H19NO — CID 22278588

IUPAC4-butylpiperidin-4-ol
SMILESCCCCC1(O)CCNCC1
InChIInChI=1S/C9H19NO/c1-2-3-4-9(11)5-7-10-8-6-9/h10-11H,2-8H2,1H3
InChIKeyJTOQMUADVWFEKP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds3

About 4-butylpiperidin-4-ol

4-butylpiperidin-4-ol (PubChem CID 22278588) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butylpiperidin-4-ol.

Molecular Properties

Compound Name4-butylpiperidin-4-ol
PubChem CID22278588
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butylpiperidin-4-ol
SMILESCCCCC1(O)CCNCC1
InChIInChI=1S/C9H19NO/c1-2-3-4-9(11)5-7-10-8-6-9/h10-11H,2-8H2,1H3
InChIKeyJTOQMUADVWFEKP-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butylpiperidin-4-ol?
The IUPAC name of 4-butylpiperidin-4-ol (CID 22278588) is 4-butylpiperidin-4-ol.
What is the SMILES notation for 4-butylpiperidin-4-ol?
The canonical SMILES for 4-butylpiperidin-4-ol is CCCCC1(O)CCNCC1.
What is the InChIKey of 4-butylpiperidin-4-ol?
The InChIKey is JTOQMUADVWFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-4-9(11)5-7-10-8-6-9/h10-11H,2-8H2,1H3.
What are the key properties of 4-butylpiperidin-4-ol?
4-butylpiperidin-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylpiperidin-4-ol is sourced from PubChem (CID 22278588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).