5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride

C9H18ClNO — CID 13013532

IUPAC5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride
SMILESCC1CC(=O)CN(C(C)C)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-7(2)10-5-8(3)4-9(11)6-10;/h7-8H,4-6H2,1-3H3;1H
InChIKeyYPKIERYNOBSMQS-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds1

About 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride

5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride (PubChem CID 13013532) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride
PubChem CID13013532
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride
SMILESCC1CC(=O)CN(C(C)C)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-7(2)10-5-8(3)4-9(11)6-10;/h7-8H,4-6H2,1-3H3;1H
InChIKeyYPKIERYNOBSMQS-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The IUPAC name of 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride (CID 13013532) is 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The canonical SMILES for 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride is CC1CC(=O)CN(C(C)C)C1.Cl.
What is the InChIKey of 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
The InChIKey is YPKIERYNOBSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-7(2)10-5-8(3)4-9(11)6-10;/h7-8H,4-6H2,1-3H3;1H.
What are the key properties of 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride?
5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 13013532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).