[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone

C20H22BrNO2 — CID 46028831

IUPAC[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C20H22BrNO2/c1-15-5-2-3-7-19(15)20(23)22-12-4-6-18(13-22)24-14-16-8-10-17(21)11-9-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3
InChIKeyKGQWQWPOYNIZMF-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.58
Rot. Bonds4

About [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone

[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 46028831) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID46028831
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C20H22BrNO2/c1-15-5-2-3-7-19(15)20(23)22-12-4-6-18(13-22)24-14-16-8-10-17(21)11-9-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3
InChIKeyKGQWQWPOYNIZMF-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 93224012
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
(3-bromophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 46029016
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone (CID 46028831) is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCCC(OCc2ccc(Br)cc2)C1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is KGQWQWPOYNIZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-15-5-2-3-7-19(15)20(23)22-12-4-6-18(13-22)24-14-16-8-10-17(21)11-9-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3.
What are the key properties of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone?
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 388.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 46028831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).