(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol

C10H22NO+ — CID 6984969

IUPAC(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
SMILESCC(C)[C@H]1[C@H](O)C[C@H](C)C[NH+]1C
InChIInChI=1S/C10H21NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-10,12H,5-6H2,1-4H3/p+1/t8-,9+,10-/m0/s1
InChIKeyHGPVQYXVJIUWJX-AEJSXWLSSA-O
MW172.29 g/mol
LogP-0.07
Rot. Bonds1

About (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol

(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol (PubChem CID 6984969) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
PubChem CID6984969
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
SMILESCC(C)[C@H]1[C@H](O)C[C@H](C)C[NH+]1C
InChIInChI=1S/C10H21NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-10,12H,5-6H2,1-4H3/p+1/t8-,9+,10-/m0/s1
InChIKeyHGPVQYXVJIUWJX-AEJSXWLSSA-O
XLogP-0.07
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol with MolForge

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Related Compounds

CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
CID 6984944
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7201099
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
4-methyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 67495132

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol?
The IUPAC name of (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol (CID 6984969) is (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol.
What is the SMILES notation for (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol?
The canonical SMILES for (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol is CC(C)[C@H]1[C@H](O)C[C@H](C)C[NH+]1C.
What is the InChIKey of (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol?
The InChIKey is HGPVQYXVJIUWJX-AEJSXWLSSA-O. The full InChI is InChI=1S/C10H21NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-10,12H,5-6H2,1-4H3/p+1/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol?
(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol has a molecular weight of 172.29 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol is sourced from PubChem (CID 6984969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).