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

C19H21BrFNO — CID 11603273

IUPAC4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C19H21BrFNO/c1-13-10-16(21)6-7-17(13)18-11-22-9-8-19(18)23-12-14-2-4-15(20)5-3-14/h2-7,10,18-19,22H,8-9,11-12H2,1H3
InChIKeyAGHUUQGOEWZCJQ-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.56
Rot. Bonds4

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

4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11603273) has the molecular formula C19H21BrFNO and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11603273
Molecular FormulaC19H21BrFNO
Molecular Weight378.29 g/mol
Exact Mass377.08
IUPAC Name4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C19H21BrFNO/c1-13-10-16(21)6-7-17(13)18-11-22-9-8-19(18)23-12-14-2-4-15(20)5-3-14/h2-7,10,18-19,22H,8-9,11-12H2,1H3
InChIKeyAGHUUQGOEWZCJQ-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromo-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10669293
3-(4-Bromo-benzyloxy)-4-phenyl-piperidine
CID 44367995
(1S,5R)-3-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 76316963
2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134148531
4-[Bis(4-fluorophenyl)methoxy]piperidine
CID 13105632
Ethanamine, 2-((4-bromophenyl)(4-fluorophenyl)methoxy)-N,N-dimethyl-, hydrochloride
CID 57023
2-(4-Bromophenyl)morpholine
CID 14425822
(+/-)-4-[(4-Fluorophenyl)phenylmethoxy]piperidine
CID 10334132
(3S,4S)-3-[(4-bromophenyl)methoxy]-4-(4-fluorophenyl)-4-phenylmethoxypiperidine
CID 10389969
4-[(3,4-Difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11493735
4-[(3,4-Dimethylphenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11508156
4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11532162

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11603273) is 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is AGHUUQGOEWZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO/c1-13-10-16(21)6-7-17(13)18-11-22-9-8-19(18)23-12-14-2-4-15(20)5-3-14/h2-7,10,18-19,22H,8-9,11-12H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 378.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).