4-piperidin-1-ylbutan-2-ol

C9H19NO — CID 13155989

IUPAC4-piperidin-1-ylbutan-2-ol
SMILESCC(O)CCN1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(11)5-8-10-6-3-2-4-7-10/h9,11H,2-8H2,1H3
InChIKeyZXAPAKFRWAWSKS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About 4-piperidin-1-ylbutan-2-ol

4-piperidin-1-ylbutan-2-ol (PubChem CID 13155989) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-piperidin-1-ylbutan-2-ol
PubChem CID13155989
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-piperidin-1-ylbutan-2-ol
SMILESCC(O)CCN1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(11)5-8-10-6-3-2-4-7-10/h9,11H,2-8H2,1H3
InChIKeyZXAPAKFRWAWSKS-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutan-2-ol?
The IUPAC name of 4-piperidin-1-ylbutan-2-ol (CID 13155989) is 4-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 4-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 4-piperidin-1-ylbutan-2-ol is CC(O)CCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutan-2-ol?
The InChIKey is ZXAPAKFRWAWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(11)5-8-10-6-3-2-4-7-10/h9,11H,2-8H2,1H3.
What are the key properties of 4-piperidin-1-ylbutan-2-ol?
4-piperidin-1-ylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 13155989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).