2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine

C14H18Cl2FN — CID 116686192

IUPAC2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
SMILESCC1CCNC(CCc2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2FN/c1-9-4-5-18-11(6-9)3-2-10-7-14(17)13(16)8-12(10)15/h7-9,11,18H,2-6H2,1H3
InChIKeyXFVKLEOLTUTDQR-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.45
Rot. Bonds3

About 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine

2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine (PubChem CID 116686192) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
PubChem CID116686192
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
SMILESCC1CCNC(CCc2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2FN/c1-9-4-5-18-11(6-9)3-2-10-7-14(17)13(16)8-12(10)15/h7-9,11,18H,2-6H2,1H3
InChIKeyXFVKLEOLTUTDQR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
CID 116686145
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 105409335
1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685626
2-(2-cyclobutylethyl)-4-methylpiperidine
CID 130804318
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
ethane;2-ethyl-4-methylpiperidine
CID 142379207
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine
CID 116686137
1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine?
The IUPAC name of 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine (CID 116686192) is 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine?
The canonical SMILES for 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine is CC1CCNC(CCc2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine?
The InChIKey is XFVKLEOLTUTDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c1-9-4-5-18-11(6-9)3-2-10-7-14(17)13(16)8-12(10)15/h7-9,11,18H,2-6H2,1H3.
What are the key properties of 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine?
2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine has a molecular weight of 290.21 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 116686192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).