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

C21H26FNO — CID 11508156

IUPAC4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1ccc(COC2CCNCC2c2ccc(F)cc2C)cc1C
InChIInChI=1S/C21H26FNO/c1-14-4-5-17(10-15(14)2)13-24-21-8-9-23-12-20(21)19-7-6-18(22)11-16(19)3/h4-7,10-11,20-21,23H,8-9,12-13H2,1-3H3
InChIKeyOZNWXTBQOZJOHS-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.41
Rot. Bonds4

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

4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11508156) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11508156
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1ccc(COC2CCNCC2c2ccc(F)cc2C)cc1C
InChIInChI=1S/C21H26FNO/c1-14-4-5-17(10-15(14)2)13-24-21-8-9-23-12-20(21)19-7-6-18(22)11-16(19)3/h4-7,10-11,20-21,23H,8-9,12-13H2,1-3H3
InChIKeyOZNWXTBQOZJOHS-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65650
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
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N-[2-[2-[4-[(3R,3'S)-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-yl]-3-methylphenyl]phenyl]ethyl]acetamide
CID 52934690
4-[3-(3-Fluorophenoxymethyl)-2-methylphenyl]piperidine
CID 25263343
N-(cyclohexylmethyl)-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164625324
HP 505
CID 191510
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
CID 10364638
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10499624
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10620143
4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10834119
4-[Bis(4-fluorophenyl)methoxy]-1-methylpiperidine
CID 11659699

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11508156) is 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1ccc(COC2CCNCC2c2ccc(F)cc2C)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is OZNWXTBQOZJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-14-4-5-17(10-15(14)2)13-24-21-8-9-23-12-20(21)19-7-6-18(22)11-16(19)3/h4-7,10-11,20-21,23H,8-9,12-13H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 327.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11508156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).