3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine

C19H21F2NO — CID 11638283

IUPAC3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccccc1F
InChIInChI=1S/C19H21F2NO/c1-13-10-15(20)6-7-16(13)17-11-22-9-8-19(17)23-12-14-4-2-3-5-18(14)21/h2-7,10,17,19,22H,8-9,11-12H2,1H3
InChIKeyHLDLSNVGCAUJKW-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine

3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine (PubChem CID 11638283) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
PubChem CID11638283
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccccc1F
InChIInChI=1S/C19H21F2NO/c1-13-10-15(20)6-7-16(13)17-11-22-9-8-19(17)23-12-14-4-2-3-5-18(14)21/h2-7,10,17,19,22H,8-9,11-12H2,1H3
InChIKeyHLDLSNVGCAUJKW-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 69336383
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11669243
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidine
CID 11596867
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
3-(4-fluoro-2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine;2-pyrrolidin-1-ylacetaldehyde
CID 87793867
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine (CID 11638283) is 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccccc1F.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine?
The InChIKey is HLDLSNVGCAUJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-13-10-15(20)6-7-16(13)17-11-22-9-8-19(17)23-12-14-4-2-3-5-18(14)21/h2-7,10,17,19,22H,8-9,11-12H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine?
3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine has a molecular weight of 317.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 11638283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).