chloro 2-piperidin-4-ylidenepropanoate

C8H12ClNO2 — CID 157022577

IUPACchloro 2-piperidin-4-ylidenepropanoate
SMILESCC(C(=O)OCl)=C1CCNCC1
InChIInChI=1S/C8H12ClNO2/c1-6(8(11)12-9)7-2-4-10-5-3-7/h10H,2-5H2,1H3
InChIKeyJSKRKPHWWHQJFI-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.38
Rot. Bonds1

About chloro 2-piperidin-4-ylidenepropanoate

chloro 2-piperidin-4-ylidenepropanoate (PubChem CID 157022577) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is chloro 2-piperidin-4-ylidenepropanoate.

Molecular Properties

Compound Namechloro 2-piperidin-4-ylidenepropanoate
PubChem CID157022577
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Namechloro 2-piperidin-4-ylidenepropanoate
SMILESCC(C(=O)OCl)=C1CCNCC1
InChIInChI=1S/C8H12ClNO2/c1-6(8(11)12-9)7-2-4-10-5-3-7/h10H,2-5H2,1H3
InChIKeyJSKRKPHWWHQJFI-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl2-fluoro-2-(piperidin-4-ylidene)acetatehydrochloride
CID 138040460
Methyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 165889284
2-(1-Methylpiperidin-1-ium-4-ylidene)acetate
CID 7219884
Methyl 2-(piperidin-4-ylidene)acetate
CID 19391295
Ethyl 2-piperidin-4-ylidenepropanoate
CID 59464310
Methyl 2-piperidin-4-ylidenepropanoate
CID 59964591
Ethyl 2-piperidin-4-ylidenepropanoate hydrochloride
CID 68685152
2-(4-Piperidylidene)propanoic Acid
CID 142139231
Methyl 2-(piperidin-4-ylidene)acetate hydrochloride
CID 156113218
Amino 2-methylpent-2-enoate;piperidine
CID 175574358
2-(Piperidin-4-ylidene)acetic acid hydrochloride
CID 15565785
CID 28791448
CID 28791448

Frequently Asked Questions

What is the IUPAC name of chloro 2-piperidin-4-ylidenepropanoate?
The IUPAC name of chloro 2-piperidin-4-ylidenepropanoate (CID 157022577) is chloro 2-piperidin-4-ylidenepropanoate.
What is the SMILES notation for chloro 2-piperidin-4-ylidenepropanoate?
The canonical SMILES for chloro 2-piperidin-4-ylidenepropanoate is CC(C(=O)OCl)=C1CCNCC1.
What is the InChIKey of chloro 2-piperidin-4-ylidenepropanoate?
The InChIKey is JSKRKPHWWHQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6(8(11)12-9)7-2-4-10-5-3-7/h10H,2-5H2,1H3.
What are the key properties of chloro 2-piperidin-4-ylidenepropanoate?
chloro 2-piperidin-4-ylidenepropanoate has a molecular weight of 189.64 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-piperidin-4-ylidenepropanoate is sourced from PubChem (CID 157022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).