(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C15H20BrNO — CID 172648533

IUPAC(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H20BrNO/c1-11-10-12(16)4-5-13(11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyQRCILXOSJFCQEE-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.02
Rot. Bonds1

About (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 172648533) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID172648533
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H20BrNO/c1-11-10-12(16)4-5-13(11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyQRCILXOSJFCQEE-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
[4-bromo-2-(trifluoromethyl)phenyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 107332906
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
(4-bromo-2-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56826294
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
(4-bromo-2-methylphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646801
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 172648533) is (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is Cc1cc(Br)ccc1C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is QRCILXOSJFCQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-10-12(16)4-5-13(11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.23 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 172648533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).