2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride

C10H20ClNO — CID 126477982

IUPAC2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride
SMILESCC1CC(=O)C(C)N(C(C)C)C1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-7(2)11-6-8(3)5-10(12)9(11)4;/h7-9H,5-6H2,1-4H3;1H
InChIKeyFQKVCGLZZOSGKE-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds1

About 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride

2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride (PubChem CID 126477982) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride
PubChem CID126477982
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride
SMILESCC1CC(=O)C(C)N(C(C)C)C1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-7(2)11-6-8(3)5-10(12)9(11)4;/h7-9H,5-6H2,1-4H3;1H
InChIKeyFQKVCGLZZOSGKE-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride (CID 126477982) is 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride is CC1CC(=O)C(C)N(C(C)C)C1.Cl.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The InChIKey is FQKVCGLZZOSGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-7(2)11-6-8(3)5-10(12)9(11)4;/h7-9H,5-6H2,1-4H3;1H.
What are the key properties of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 126477982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).