2-butyl-1-methylpiperidin-1-ium chloride

C10H22ClN — CID 171571001

IUPAC2-butyl-1-methylpiperidin-1-ium chloride
SMILESCCCCC1CCCC[NH+]1C.[Cl-]
InChIInChI=1S/C10H21N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h10H,3-9H2,1-2H3;1H
InChIKeyAHYRVVQOFBGBJS-UHFFFAOYSA-N
MW191.75 g/mol
LogP-1.75
Rot. Bonds3

About 2-butyl-1-methylpiperidin-1-ium chloride

2-butyl-1-methylpiperidin-1-ium chloride (PubChem CID 171571001) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is 2-butyl-1-methylpiperidin-1-ium chloride.

Molecular Properties

Compound Name2-butyl-1-methylpiperidin-1-ium chloride
PubChem CID171571001
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC Name2-butyl-1-methylpiperidin-1-ium chloride
SMILESCCCCC1CCCC[NH+]1C.[Cl-]
InChIInChI=1S/C10H21N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h10H,3-9H2,1-2H3;1H
InChIKeyAHYRVVQOFBGBJS-UHFFFAOYSA-N
XLogP-1.75
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-1-methylpiperidin-1-ium acetate
CID 171570799
1-methyl-2-propylpiperidin-1-ium cyanide
CID 171570240
2-butyl-1-dodecylpiperidin-1-ium chloride
CID 171570781
2-butyl-1-dodecylpiperidin-1-ium cyanide
CID 171571571
2-butyl-1-dodecylpyrrolidin-1-ium chloride
CID 171571110
1-hexyl-2-propylpiperidin-1-ium chloride
CID 171570151
2-butyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570420
2-butyl-1-heptylpyrrolidin-1-ium fluoride
CID 171570289
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
2-butyl-1-undecylpiperidin-1-ium acetate
CID 171569825
2-butyl-1-octylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615485
1-[(2S)-1-methylpiperidin-1-ium-2-yl]propan-2-one
CID 6946847

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpiperidin-1-ium chloride?
The IUPAC name of 2-butyl-1-methylpiperidin-1-ium chloride (CID 171571001) is 2-butyl-1-methylpiperidin-1-ium chloride.
What is the SMILES notation for 2-butyl-1-methylpiperidin-1-ium chloride?
The canonical SMILES for 2-butyl-1-methylpiperidin-1-ium chloride is CCCCC1CCCC[NH+]1C.[Cl-].
What is the InChIKey of 2-butyl-1-methylpiperidin-1-ium chloride?
The InChIKey is AHYRVVQOFBGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h10H,3-9H2,1-2H3;1H.
What are the key properties of 2-butyl-1-methylpiperidin-1-ium chloride?
2-butyl-1-methylpiperidin-1-ium chloride has a molecular weight of 191.75 g/mol, XLogP of -1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpiperidin-1-ium chloride is sourced from PubChem (CID 171571001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).