4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

C19H20Cl2FNO — CID 11653538

IUPAC4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2FNO/c1-12-8-15(22)3-4-16(12)17-10-23-7-6-19(17)24-11-13-9-14(20)2-5-18(13)21/h2-5,8-9,17,19,23H,6-7,10-11H2,1H3
InChIKeyLHVTZVJSWBTVSE-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.10
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11653538) has the molecular formula C19H20Cl2FNO and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11653538
Molecular FormulaC19H20Cl2FNO
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2FNO/c1-12-8-15(22)3-4-16(12)17-10-23-7-6-19(17)24-11-13-9-14(20)2-5-18(13)21/h2-5,8-9,17,19,23H,6-7,10-11H2,1H3
InChIKeyLHVTZVJSWBTVSE-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11653538) is 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is LHVTZVJSWBTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO/c1-12-8-15(22)3-4-16(12)17-10-23-7-6-19(17)24-11-13-9-14(20)2-5-18(13)21/h2-5,8-9,17,19,23H,6-7,10-11H2,1H3.
What are the key properties of 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 368.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11653538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).