(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

C15H20BrNO — CID 112705639

IUPAC(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H20BrNO/c1-3-13-6-4-5-9-17(13)15(18)12-7-8-14(16)11(2)10-12/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNXPNXUHDXJXMGG-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.16
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 112705639) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID112705639
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H20BrNO/c1-3-13-6-4-5-9-17(13)15(18)12-7-8-14(16)11(2)10-12/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNXPNXUHDXJXMGG-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(4-bromo-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113396869
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-bromo-4-methylphenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639169
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
3-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 81458499

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 112705639) is (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is NXPNXUHDXJXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-13-6-4-5-9-17(13)15(18)12-7-8-14(16)11(2)10-12/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 310.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 112705639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).