piperidin-1-yl 2,2-dichloroacetate

C7H11Cl2NO2 — CID 57250123

IUPACpiperidin-1-yl 2,2-dichloroacetate
SMILESO=C(ON1CCCCC1)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO2/c8-6(9)7(11)12-10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyCENNSUMVLPLSKY-UHFFFAOYSA-N
MW212.08 g/mol
LogP1.73
Rot. Bonds2

About piperidin-1-yl 2,2-dichloroacetate

piperidin-1-yl 2,2-dichloroacetate (PubChem CID 57250123) has the molecular formula C7H11Cl2NO2 and a molecular weight of 212.08 g/mol. Its IUPAC name is piperidin-1-yl 2,2-dichloroacetate.

Molecular Properties

Compound Namepiperidin-1-yl 2,2-dichloroacetate
PubChem CID57250123
Molecular FormulaC7H11Cl2NO2
Molecular Weight212.08 g/mol
Exact Mass211.02
IUPAC Namepiperidin-1-yl 2,2-dichloroacetate
SMILESO=C(ON1CCCCC1)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO2/c8-6(9)7(11)12-10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyCENNSUMVLPLSKY-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze piperidin-1-yl 2,2-dichloroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid
CID 70259588
azepan-1-yl acetate
CID 67537261
benzene;piperidin-1-yl acetate
CID 66953580
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
pyrrolidin-1-yl cyclopropanecarboxylate
CID 154313391
azepan-1-ylazanium;azepan-1-yl carbonate
CID 122598366
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
pyrrolidin-1-yl N-tert-butylcarbamate
CID 23289140
pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
CID 174730416
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
piperidin-1-yl N-tert-butyl-N-methylcarbamate
CID 175506909
(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
CID 22117404

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl 2,2-dichloroacetate?
The IUPAC name of piperidin-1-yl 2,2-dichloroacetate (CID 57250123) is piperidin-1-yl 2,2-dichloroacetate.
What is the SMILES notation for piperidin-1-yl 2,2-dichloroacetate?
The canonical SMILES for piperidin-1-yl 2,2-dichloroacetate is O=C(ON1CCCCC1)C(Cl)Cl.
What is the InChIKey of piperidin-1-yl 2,2-dichloroacetate?
The InChIKey is CENNSUMVLPLSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO2/c8-6(9)7(11)12-10-4-2-1-3-5-10/h6H,1-5H2.
What are the key properties of piperidin-1-yl 2,2-dichloroacetate?
piperidin-1-yl 2,2-dichloroacetate has a molecular weight of 212.08 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl 2,2-dichloroacetate is sourced from PubChem (CID 57250123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).