2-piperidin-1-ium-1-ylacetic acid chloride

C7H14ClNO2 — CID 44660774

IUPAC2-piperidin-1-ium-1-ylacetic acid chloride
SMILESO=C(O)C[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H
InChIKeyWKVJGLBBPPFCGD-UHFFFAOYSA-N
MW179.65 g/mol
LogP-3.86
Rot. Bonds2

About 2-piperidin-1-ium-1-ylacetic acid chloride

2-piperidin-1-ium-1-ylacetic acid chloride (PubChem CID 44660774) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylacetic acid chloride.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylacetic acid chloride
PubChem CID44660774
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-piperidin-1-ium-1-ylacetic acid chloride
SMILESO=C(O)C[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H
InChIKeyWKVJGLBBPPFCGD-UHFFFAOYSA-N
XLogP-3.86
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-3.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylacetic acid chloride?
The IUPAC name of 2-piperidin-1-ium-1-ylacetic acid chloride (CID 44660774) is 2-piperidin-1-ium-1-ylacetic acid chloride.
What is the SMILES notation for 2-piperidin-1-ium-1-ylacetic acid chloride?
The canonical SMILES for 2-piperidin-1-ium-1-ylacetic acid chloride is O=C(O)C[NH+]1CCCCC1.[Cl-].
What is the InChIKey of 2-piperidin-1-ium-1-ylacetic acid chloride?
The InChIKey is WKVJGLBBPPFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H.
What are the key properties of 2-piperidin-1-ium-1-ylacetic acid chloride?
2-piperidin-1-ium-1-ylacetic acid chloride has a molecular weight of 179.65 g/mol, XLogP of -3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylacetic acid chloride is sourced from PubChem (CID 44660774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).