4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine

C11H19Cl2NO — CID 106440040

IUPAC4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCC(OCCCl)CC1
InChIInChI=1S/C11H19Cl2NO/c1-10(8-13)9-14-5-2-11(3-6-14)15-7-4-12/h8,11H,2-7,9H2,1H3
InChIKeyGPRJPIRAUHHIQC-UHFFFAOYSA-N
MW252.18 g/mol
LogP2.85
Rot. Bonds5

About 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine

4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine (PubChem CID 106440040) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
PubChem CID106440040
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC Name4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCC(OCCCl)CC1
InChIInChI=1S/C11H19Cl2NO/c1-10(8-13)9-14-5-2-11(3-6-14)15-7-4-12/h8,11H,2-7,9H2,1H3
InChIKeyGPRJPIRAUHHIQC-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
CID 106440086
4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
CID 82701207
4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 112591845
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
1-(2-tert-butylsulfonylethyl)-4-(2-chloroethoxy)piperidine
CID 106731247
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
CID 106439879
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 82701908

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine (CID 106440040) is 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine is CC(=CCl)CN1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The InChIKey is GPRJPIRAUHHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-10(8-13)9-14-5-2-11(3-6-14)15-7-4-12/h8,11H,2-7,9H2,1H3.
What are the key properties of 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine has a molecular weight of 252.18 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 106440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).