(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone

C20H22BrNO2 — CID 171369301

IUPAC(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
SMILESCc1c(OCc2ccccc2)ccc(Br)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H22BrNO2/c1-15-18(24-14-16-8-4-2-5-9-16)11-10-17(21)19(15)20(23)22-12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-14H2,1H3
InChIKeyHCZFQGVXEBLHIQ-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.96
Rot. Bonds4

About (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone

(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 171369301) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
PubChem CID171369301
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
SMILESCc1c(OCc2ccccc2)ccc(Br)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H22BrNO2/c1-15-18(24-14-16-8-4-2-5-9-16)11-10-17(21)19(15)20(23)22-12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-14H2,1H3
InChIKeyHCZFQGVXEBLHIQ-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2-methyl-3-phenylmethoxyphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171369307
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(3-iodo-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 172647558
(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
CID 171369332
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
(3-bromo-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 1021094
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone
CID 155798182
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone (CID 171369301) is (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone is Cc1c(OCc2ccccc2)ccc(Br)c1C(=O)N1CCCCC1.
What is the InChIKey of (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is HCZFQGVXEBLHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-15-18(24-14-16-8-4-2-5-9-16)11-10-17(21)19(15)20(23)22-12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-14H2,1H3.
What are the key properties of (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 388.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 171369301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).