2-piperidin-1-ylacetic acid chloride

C7H13ClNO2- — CID 23004666

IUPAC2-piperidin-1-ylacetic acid chloride
SMILESO=C(O)CN1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H/p-1
InChIKeyWKVJGLBBPPFCGD-UHFFFAOYSA-M
MW178.64 g/mol
LogP-2.44
Rot. Bonds2

About 2-piperidin-1-ylacetic acid chloride

2-piperidin-1-ylacetic acid chloride (PubChem CID 23004666) has the molecular formula C7H13ClNO2- and a molecular weight of 178.64 g/mol. Its IUPAC name is 2-piperidin-1-ylacetic acid chloride.

Molecular Properties

Compound Name2-piperidin-1-ylacetic acid chloride
PubChem CID23004666
Molecular FormulaC7H13ClNO2-
Molecular Weight178.64 g/mol
Exact Mass178.06
IUPAC Name2-piperidin-1-ylacetic acid chloride
SMILESO=C(O)CN1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H/p-1
InChIKeyWKVJGLBBPPFCGD-UHFFFAOYSA-M
XLogP-2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylacetic acid chloride?
The IUPAC name of 2-piperidin-1-ylacetic acid chloride (CID 23004666) is 2-piperidin-1-ylacetic acid chloride.
What is the SMILES notation for 2-piperidin-1-ylacetic acid chloride?
The canonical SMILES for 2-piperidin-1-ylacetic acid chloride is O=C(O)CN1CCCCC1.[Cl-].
What is the InChIKey of 2-piperidin-1-ylacetic acid chloride?
The InChIKey is WKVJGLBBPPFCGD-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-piperidin-1-ylacetic acid chloride?
2-piperidin-1-ylacetic acid chloride has a molecular weight of 178.64 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylacetic acid chloride is sourced from PubChem (CID 23004666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).