1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine

C14H18Cl2FN — CID 130192115

IUPAC1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine
SMILESCC(c1cc(Cl)cc(Cl)c1)N1CCC(C)(F)CC1
InChIInChI=1S/C14H18Cl2FN/c1-10(11-7-12(15)9-13(16)8-11)18-5-3-14(2,17)4-6-18/h7-10H,3-6H2,1-2H3
InChIKeyAXQMSWOWOWWVOR-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.88
Rot. Bonds2

About 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine

1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine (PubChem CID 130192115) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine
PubChem CID130192115
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine
SMILESCC(c1cc(Cl)cc(Cl)c1)N1CCC(C)(F)CC1
InChIInChI=1S/C14H18Cl2FN/c1-10(11-7-12(15)9-13(16)8-11)18-5-3-14(2,17)4-6-18/h7-10H,3-6H2,1-2H3
InChIKeyAXQMSWOWOWWVOR-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine (CID 130192115) is 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine is CC(c1cc(Cl)cc(Cl)c1)N1CCC(C)(F)CC1.
What is the InChIKey of 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine?
The InChIKey is AXQMSWOWOWWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c1-10(11-7-12(15)9-13(16)8-11)18-5-3-14(2,17)4-6-18/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine?
1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine has a molecular weight of 290.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 130192115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).