5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol

C8H18NO2+ — CID 140575033

IUPAC5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol
SMILESCC1[NH2+]CC(CO)C(C)C1O
InChIInChI=1S/C8H17NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h5-11H,3-4H2,1-2H3/p+1
InChIKeyPIDKYBUIYXCJJP-UHFFFAOYSA-O
MW160.24 g/mol
LogP-1.44
Rot. Bonds1

About 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol

5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol (PubChem CID 140575033) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol
PubChem CID140575033
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol
SMILESCC1[NH2+]CC(CO)C(C)C1O
InChIInChI=1S/C8H17NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h5-11H,3-4H2,1-2H3/p+1
InChIKeyPIDKYBUIYXCJJP-UHFFFAOYSA-O
XLogP-1.44
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
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(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-methoxypiperidin-1-ium-3,4-diol chloride
CID 10656232
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
2-(hydroxymethyl)-3,6-dimethylthian-4-ol
CID 143617465
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
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cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
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[(2S)-2-iodocyclopropyl]methanol
CID 122684903

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol (CID 140575033) is 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol is CC1[NH2+]CC(CO)C(C)C1O.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol?
The InChIKey is PIDKYBUIYXCJJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h5-11H,3-4H2,1-2H3/p+1.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol?
5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol has a molecular weight of 160.24 g/mol, XLogP of -1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-dimethylpiperidin-1-ium-3-ol is sourced from PubChem (CID 140575033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).