4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine

C14H18ClF2NO — CID 11702005

IUPAC4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine
SMILESCCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H18ClF2NO/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)15)19-14(16)17/h3-5,10,14H,2,6-9H2,1H3
InChIKeyKRRHKBITLDKNAB-UHFFFAOYSA-N
MW289.75 g/mol
LogP4.14
Rot. Bonds4

About 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine

4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine (PubChem CID 11702005) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine.

Molecular Properties

Compound Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine
PubChem CID11702005
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine
SMILESCCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H18ClF2NO/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)15)19-14(16)17/h3-5,10,14H,2,6-9H2,1H3
InChIKeyKRRHKBITLDKNAB-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine?
The IUPAC name of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine (CID 11702005) is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine.
What is the SMILES notation for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine?
The canonical SMILES for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine is CCN1CCC(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine?
The InChIKey is KRRHKBITLDKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)15)19-14(16)17/h3-5,10,14H,2,6-9H2,1H3.
What are the key properties of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine?
4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine has a molecular weight of 289.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-ethylpiperidine is sourced from PubChem (CID 11702005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).