1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride

C11H24ClNO — CID 126476599

IUPAC1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride
SMILESCC1CN(C(C)(C)C)C(C)CC1O.Cl
InChIInChI=1S/C11H23NO.ClH/c1-8-7-12(11(3,4)5)9(2)6-10(8)13;/h8-10,13H,6-7H2,1-5H3;1H
InChIKeyLVFKLYVTBPNTJN-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.30
Rot. Bonds

About 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride

1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride (PubChem CID 126476599) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride
PubChem CID126476599
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride
SMILESCC1CN(C(C)(C)C)C(C)CC1O.Cl
InChIInChI=1S/C11H23NO.ClH/c1-8-7-12(11(3,4)5)9(2)6-10(8)13;/h8-10,13H,6-7H2,1-5H3;1H
InChIKeyLVFKLYVTBPNTJN-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride?
The IUPAC name of 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride (CID 126476599) is 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride is CC1CN(C(C)(C)C)C(C)CC1O.Cl.
What is the InChIKey of 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride?
The InChIKey is LVFKLYVTBPNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c1-8-7-12(11(3,4)5)9(2)6-10(8)13;/h8-10,13H,6-7H2,1-5H3;1H.
What are the key properties of 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride?
1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 126476599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).