4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride

C8H16ClNO3 — CID 91647750

IUPAC4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-12-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,11);1H
InChIKeyFRYPUPXUYROTHD-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.51
Rot. Bonds3

About 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride

4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 91647750) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID91647750
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-12-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,11);1H
InChIKeyFRYPUPXUYROTHD-UHFFFAOYSA-N
XLogP0.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride (CID 91647750) is 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride is COCC1(C(=O)O)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is FRYPUPXUYROTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-12-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride?
4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91647750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).