(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

C16H22BrNO2 — CID 62612905

IUPAC(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(OC)ccc2Br)CC1
InChIInChI=1S/C16H22BrNO2/c1-4-16(2)7-9-18(10-8-16)15(19)13-11-12(20-3)5-6-14(13)17/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJLUKATRYLLQYAB-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.11
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 62612905) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID62612905
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(OC)ccc2Br)CC1
InChIInChI=1S/C16H22BrNO2/c1-4-16(2)7-9-18(10-8-16)15(19)13-11-12(20-3)5-6-14(13)17/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJLUKATRYLLQYAB-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492
(2-bromo-5-methoxyphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 172648171
2-amino-1-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 66953172
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621547
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156469
[2-bromo-5-(trifluoromethoxy)phenyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648525
(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 62612905) is (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2cc(OC)ccc2Br)CC1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is JLUKATRYLLQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-4-16(2)7-9-18(10-8-16)15(19)13-11-12(20-3)5-6-14(13)17/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 340.26 g/mol, XLogP of 4.11, 3 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-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62612905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).