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

C19H20Cl2FNO — CID 69336383

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

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

4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 69336383) has the molecular formula C19H20Cl2FNO and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID69336383
Molecular FormulaC19H20Cl2FNO
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2FNO/c1-12-6-16(22)2-3-17(12)18-10-23-5-4-19(18)24-11-13-7-14(20)9-15(21)8-13/h2-3,6-9,18-19,23H,4-5,10-11H2,1H3
InChIKeyILXMHLPZUNXLIM-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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Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11669243
3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
CID 11638283
3-(4-fluoro-2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine;2-pyrrolidin-1-ylacetaldehyde
CID 87793867
(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
N-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 87724177
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
CID 11604554
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68930315
(7R)-N-[(3,5-dichlorophenyl)methyl]-7-(4-fluoro-2-methylphenyl)-N-methyl-1,4-diazepane-1-carboxamide
CID 90815713
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 69336383) is 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is ILXMHLPZUNXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO/c1-12-6-16(22)2-3-17(12)18-10-23-5-4-19(18)24-11-13-7-14(20)9-15(21)8-13/h2-3,6-9,18-19,23H,4-5,10-11H2,1H3.
What are the key properties of 4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(3,5-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-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 69336383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).