1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride

C11H22ClNO — CID 67499292

IUPAC1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride
SMILESCCCCC(=O)C1CCCC(C)N1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-4-8-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyGNDLQUFIIUHDNM-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.70
Rot. Bonds4

About 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride

1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride (PubChem CID 67499292) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride
PubChem CID67499292
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride
SMILESCCCCC(=O)C1CCCC(C)N1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-4-8-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyGNDLQUFIIUHDNM-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride?
The IUPAC name of 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride (CID 67499292) is 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride is CCCCC(=O)C1CCCC(C)N1.Cl.
What is the InChIKey of 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride?
The InChIKey is GNDLQUFIIUHDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-3-4-8-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride?
1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpiperidin-2-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 67499292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).