[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C20H22BrNO2 — CID 3448766

IUPAC[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1
InChIInChI=1S/C20H22BrNO2/c1-15-10-12-22(13-11-15)20(23)17-8-6-16(7-9-17)14-24-19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3
InChIKeyOUCVMWRCSHHNSD-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.90
Rot. Bonds4

About [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3448766) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3448766
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1
InChIInChI=1S/C20H22BrNO2/c1-15-10-12-22(13-11-15)20(23)17-8-6-16(7-9-17)14-24-19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3
InChIKeyOUCVMWRCSHHNSD-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
CID 119402210
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(3-bromo-4-prop-2-enoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 17067207
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione
CID 4640773
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 3448766) is [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1.
What is the InChIKey of [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is OUCVMWRCSHHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-15-10-12-22(13-11-15)20(23)17-8-6-16(7-9-17)14-24-19-5-3-2-4-18(19)21/h2-9,15H,10-14H2,1H3.
What are the key properties of [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 388.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3448766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).