4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine

C15H20ClF2NO — CID 116790596

IUPAC4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CN1CCC(OCCCl)CC1)c1ccccc1
InChIInChI=1S/C15H20ClF2NO/c16-8-11-20-14-6-9-19(10-7-14)12-15(17,18)13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyFAZWCHHOGARTKO-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.50
Rot. Bonds6

About 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine

4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine (PubChem CID 116790596) has the molecular formula C15H20ClF2NO and a molecular weight of 303.78 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
PubChem CID116790596
Molecular FormulaC15H20ClF2NO
Molecular Weight303.78 g/mol
Exact Mass303.12
IUPAC Name4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CN1CCC(OCCCl)CC1)c1ccccc1
InChIInChI=1S/C15H20ClF2NO/c16-8-11-20-14-6-9-19(10-7-14)12-15(17,18)13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyFAZWCHHOGARTKO-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 53.50
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

4-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523
4-(2-chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 82701438
4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
CID 82701207
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 82701748
1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790576
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
CID 114682382
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(2-chloroethoxy)piperidine
CID 106272398
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine (CID 116790596) is 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine is FC(F)(CN1CCC(OCCCl)CC1)c1ccccc1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The InChIKey is FAZWCHHOGARTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO/c16-8-11-20-14-6-9-19(10-7-14)12-15(17,18)13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine?
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine has a molecular weight of 303.78 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine is sourced from PubChem (CID 116790596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).