2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol

C15H32NO+ — CID 7758908

IUPAC2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol
SMILESCC(C)C[C@@H]1CCC[C@@H](CC(C)C)[NH+]1CCO
InChIInChI=1S/C15H31NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h12-15,17H,5-11H2,1-4H3/p+1/t14-,15-/m0/s1
InChIKeyVCBVSHSBEVILBE-GJZGRUSLSA-O
MW242.43 g/mol
LogP1.88
Rot. Bonds6

About 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol

2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol (PubChem CID 7758908) has the molecular formula C15H32NO+ and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol
PubChem CID7758908
Molecular FormulaC15H32NO+
Molecular Weight242.43 g/mol
Exact Mass242.25
IUPAC Name2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol
SMILESCC(C)C[C@@H]1CCC[C@@H](CC(C)C)[NH+]1CCO
InChIInChI=1S/C15H31NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h12-15,17H,5-11H2,1-4H3/p+1/t14-,15-/m0/s1
InChIKeyVCBVSHSBEVILBE-GJZGRUSLSA-O
XLogP1.88
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
ethanol;N-methyl-2-(2-methylpropyl)cyclopentan-1-amine
CID 71071852
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane
CID 139971599
2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868630
2-cyclohexylethanol;formic acid;2-methylbutane
CID 144561300
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
[2-(2-methylpropyl)cyclopentyl]silane
CID 123668655

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol (CID 7758908) is 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol is CC(C)C[C@@H]1CCC[C@@H](CC(C)C)[NH+]1CCO.
What is the InChIKey of 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol?
The InChIKey is VCBVSHSBEVILBE-GJZGRUSLSA-O. The full InChI is InChI=1S/C15H31NO/c1-12(2)10-14-6-5-7-15(11-13(3)4)16(14)8-9-17/h12-15,17H,5-11H2,1-4H3/p+1/t14-,15-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol?
2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol has a molecular weight of 242.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-bis(2-methylpropyl)piperidin-1-ium-1-yl]ethanol is sourced from PubChem (CID 7758908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).