1,5-ditert-butylpiperidin-3-ol;hydrochloride

C13H28ClNO — CID 2850399

IUPAC1,5-ditert-butylpiperidin-3-ol;hydrochloride
SMILESCC(C)(C)C1CC(O)CN(C(C)(C)C)C1.Cl
InChIInChI=1S/C13H27NO.ClH/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6;/h10-11,15H,7-9H2,1-6H3;1H
InChIKeyNEQUCJLQIGEYEQ-UHFFFAOYSA-N
MW249.83 g/mol
LogP2.94
Rot. Bonds

About 1,5-ditert-butylpiperidin-3-ol;hydrochloride

1,5-ditert-butylpiperidin-3-ol;hydrochloride (PubChem CID 2850399) has the molecular formula C13H28ClNO and a molecular weight of 249.83 g/mol. Its IUPAC name is 1,5-ditert-butylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1,5-ditert-butylpiperidin-3-ol;hydrochloride
PubChem CID2850399
Molecular FormulaC13H28ClNO
Molecular Weight249.83 g/mol
Exact Mass249.19
IUPAC Name1,5-ditert-butylpiperidin-3-ol;hydrochloride
SMILESCC(C)(C)C1CC(O)CN(C(C)(C)C)C1.Cl
InChIInChI=1S/C13H27NO.ClH/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6;/h10-11,15H,7-9H2,1-6H3;1H
InChIKeyNEQUCJLQIGEYEQ-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butylpiperidin-3-ol;hydrochloride?
The IUPAC name of 1,5-ditert-butylpiperidin-3-ol;hydrochloride (CID 2850399) is 1,5-ditert-butylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 1,5-ditert-butylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 1,5-ditert-butylpiperidin-3-ol;hydrochloride is CC(C)(C)C1CC(O)CN(C(C)(C)C)C1.Cl.
What is the InChIKey of 1,5-ditert-butylpiperidin-3-ol;hydrochloride?
The InChIKey is NEQUCJLQIGEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.ClH/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6;/h10-11,15H,7-9H2,1-6H3;1H.
What are the key properties of 1,5-ditert-butylpiperidin-3-ol;hydrochloride?
1,5-ditert-butylpiperidin-3-ol;hydrochloride has a molecular weight of 249.83 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 2850399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).