(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride

C16H26ClN — CID 10683293

IUPAC(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride
SMILESCCCC[C@@H]1CCC[C@H](c2ccccc2C)[NH2+]1.[Cl-]
InChIInChI=1S/C16H25N.ClH/c1-3-4-9-14-10-7-12-16(17-14)15-11-6-5-8-13(15)2;/h5-6,8,11,14,16-17H,3-4,7,9-10,12H2,1-2H3;1H/t14-,16-;/m1./s1
InChIKeyGJCFOPLVKGLLIT-VNYZMKMESA-N
MW267.84 g/mol
LogP0.35
Rot. Bonds4

About (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride

(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride (PubChem CID 10683293) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride.

Molecular Properties

Compound Name(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride
PubChem CID10683293
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride
SMILESCCCC[C@@H]1CCC[C@H](c2ccccc2C)[NH2+]1.[Cl-]
InChIInChI=1S/C16H25N.ClH/c1-3-4-9-14-10-7-12-16(17-14)15-11-6-5-8-13(15)2;/h5-6,8,11,14,16-17H,3-4,7,9-10,12H2,1-2H3;1H/t14-,16-;/m1./s1
InChIKeyGJCFOPLVKGLLIT-VNYZMKMESA-N
XLogP0.35
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride?
The IUPAC name of (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride (CID 10683293) is (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride.
What is the SMILES notation for (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride?
The canonical SMILES for (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride is CCCC[C@@H]1CCC[C@H](c2ccccc2C)[NH2+]1.[Cl-].
What is the InChIKey of (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride?
The InChIKey is GJCFOPLVKGLLIT-VNYZMKMESA-N. The full InChI is InChI=1S/C16H25N.ClH/c1-3-4-9-14-10-7-12-16(17-14)15-11-6-5-8-13(15)2;/h5-6,8,11,14,16-17H,3-4,7,9-10,12H2,1-2H3;1H/t14-,16-;/m1./s1.
What are the key properties of (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride?
(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride has a molecular weight of 267.84 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride is sourced from PubChem (CID 10683293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).