2-tert-butyl-2-methylpiperidin-3-one;hydrochloride

C10H20ClNO — CID 115024376

IUPAC2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
SMILESCC(C)(C)C1(C)NCCCC1=O.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2,3)10(4)8(12)6-5-7-11-10;/h11H,5-7H2,1-4H3;1H
InChIKeyONYKRQZTNBUHEZ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.17
Rot. Bonds

About 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride

2-tert-butyl-2-methylpiperidin-3-one;hydrochloride (PubChem CID 115024376) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
PubChem CID115024376
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
SMILESCC(C)(C)C1(C)NCCCC1=O.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2,3)10(4)8(12)6-5-7-11-10;/h11H,5-7H2,1-4H3;1H
InChIKeyONYKRQZTNBUHEZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride (CID 115024376) is 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride is CC(C)(C)C1(C)NCCCC1=O.Cl.
What is the InChIKey of 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride?
The InChIKey is ONYKRQZTNBUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-9(2,3)10(4)8(12)6-5-7-11-10;/h11H,5-7H2,1-4H3;1H.
What are the key properties of 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride?
2-tert-butyl-2-methylpiperidin-3-one;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 115024376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).