1-tert-butylpiperidin-4-ol

C9H19NO — CID 22647882

IUPAC1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-9(2,3)10-6-4-8(11)5-7-10/h8,11H,4-7H2,1-3H3
InChIKeyQQBFZTKZYQFNHA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds

About 1-tert-butylpiperidin-4-ol

1-tert-butylpiperidin-4-ol (PubChem CID 22647882) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butylpiperidin-4-ol
PubChem CID22647882
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-9(2,3)10-6-4-8(11)5-7-10/h8,11H,4-7H2,1-3H3
InChIKeyQQBFZTKZYQFNHA-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 1-tert-butylpiperidin-4-ol?
The IUPAC name of 1-tert-butylpiperidin-4-ol (CID 22647882) is 1-tert-butylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butylpiperidin-4-ol?
The canonical SMILES for 1-tert-butylpiperidin-4-ol is CC(C)(C)N1CCC(O)CC1.
What is the InChIKey of 1-tert-butylpiperidin-4-ol?
The InChIKey is QQBFZTKZYQFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)10-6-4-8(11)5-7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-tert-butylpiperidin-4-ol?
1-tert-butylpiperidin-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidin-4-ol is sourced from PubChem (CID 22647882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).