(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

C17H24BrNO2 — CID 62085963

IUPAC(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H24BrNO2/c1-17(2,3)12-7-9-19(10-8-12)16(20)14-11-13(21-4)5-6-15(14)18/h5-6,11-12H,7-10H2,1-4H3
InChIKeySRGZHFWKGVJWPP-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.36
Rot. Bonds2

About (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62085963) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62085963
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H24BrNO2/c1-17(2,3)12-7-9-19(10-8-12)16(20)14-11-13(21-4)5-6-15(14)18/h5-6,11-12H,7-10H2,1-4H3
InChIKeySRGZHFWKGVJWPP-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-methoxyphenyl)methanone
CID 60630518
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(2-bromo-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482586
(2-bromo-5-methoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584657
(2-bromo-5-methoxyphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114682915
(2-bromo-5-methoxyphenyl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 122151894

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62085963) is (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is COc1ccc(Br)c(C(=O)N2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is SRGZHFWKGVJWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-17(2,3)12-7-9-19(10-8-12)16(20)14-11-13(21-4)5-6-15(14)18/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 354.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62085963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).