(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone

C16H22BrNO — CID 81110133

IUPAC(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C16H22BrNO/c1-3-4-13-7-9-18(10-8-13)16(19)14-11-12(2)5-6-15(14)17/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeySSYIDBKEJXGXOV-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.41
Rot. Bonds3

About (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone

(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 81110133) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID81110133
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C16H22BrNO/c1-3-4-13-7-9-18(10-8-13)16(19)14-11-12(2)5-6-15(14)17/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeySSYIDBKEJXGXOV-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 81117231
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695761
(2-bromo-5-methylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 80974460
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492
(2-bromo-5-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 81117928
2-[1-(2-bromo-5-methylbenzoyl)azetidin-3-yl]acetic acid
CID 81111025
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone (CID 81110133) is (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(C)ccc2Br)CC1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is SSYIDBKEJXGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-3-4-13-7-9-18(10-8-13)16(19)14-11-12(2)5-6-15(14)17/h5-6,11,13H,3-4,7-10H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone?
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 324.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 81110133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).