ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid

C9H19NO3 — CID 166471402

IUPACethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
SMILESCC.CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C7H13NO3.C2H6/c1-8-4-2-7(11,3-5-8)6(9)10;1-2/h11H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyHIVZOQJPEAJJEV-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.55
Rot. Bonds1

About ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid

ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid (PubChem CID 166471402) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
PubChem CID166471402
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
SMILESCC.CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C7H13NO3.C2H6/c1-8-4-2-7(11,3-5-8)6(9)10;1-2/h11H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyHIVZOQJPEAJJEV-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
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1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
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4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
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ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
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4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
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1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
[2-(4-hydroxy-1-methylpiperidin-4-yl)acetyl]azanide;vanadium
CID 176949027
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
(1,4-dimethylpiperidin-4-yl)methanol;ethane
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(4-fluoro-1-methylpiperidin-4-yl)methanol
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CID 65420767

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid (CID 166471402) is ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid is CC.CN1CCC(O)(C(=O)O)CC1.
What is the InChIKey of ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid?
The InChIKey is HIVZOQJPEAJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-8-4-2-7(11,3-5-8)6(9)10;1-2/h11H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid?
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid has a molecular weight of 189.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 166471402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).