(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride

C7H14ClNO — CID 122164161

IUPAC(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride
SMILESC[C@@H]1CNC[C@@H](C)C1=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-5-3-8-4-6(2)7(5)9;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyKGOSYMJHQHVVLJ-KGZKBUQUSA-N
MW163.65 g/mol
LogP0.85
Rot. Bonds

About (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride

(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride (PubChem CID 122164161) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride
PubChem CID122164161
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride
SMILESC[C@@H]1CNC[C@@H](C)C1=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-5-3-8-4-6(2)7(5)9;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyKGOSYMJHQHVVLJ-KGZKBUQUSA-N
XLogP0.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride (CID 122164161) is (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride is C[C@@H]1CNC[C@@H](C)C1=O.Cl.
What is the InChIKey of (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is KGOSYMJHQHVVLJ-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-5-3-8-4-6(2)7(5)9;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1.
What are the key properties of (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride?
(3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 122164161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).