3-tert-butylpiperidin-4-ol

C9H19NO — CID 115012310

IUPAC3-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1CNCCC1O
InChIInChI=1S/C9H19NO/c1-9(2,3)7-6-10-5-4-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyYMGSOMJCCHUABD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds

About 3-tert-butylpiperidin-4-ol

3-tert-butylpiperidin-4-ol (PubChem CID 115012310) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name3-tert-butylpiperidin-4-ol
PubChem CID115012310
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-tert-butylpiperidin-4-ol
SMILESCC(C)(C)C1CNCCC1O
InChIInChI=1S/C9H19NO/c1-9(2,3)7-6-10-5-4-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyYMGSOMJCCHUABD-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpiperidin-4-ol?
The IUPAC name of 3-tert-butylpiperidin-4-ol (CID 115012310) is 3-tert-butylpiperidin-4-ol.
What is the SMILES notation for 3-tert-butylpiperidin-4-ol?
The canonical SMILES for 3-tert-butylpiperidin-4-ol is CC(C)(C)C1CNCCC1O.
What is the InChIKey of 3-tert-butylpiperidin-4-ol?
The InChIKey is YMGSOMJCCHUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)7-6-10-5-4-8(7)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 3-tert-butylpiperidin-4-ol?
3-tert-butylpiperidin-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpiperidin-4-ol is sourced from PubChem (CID 115012310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).