(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone

C15H19Br2NO — CID 107980414

IUPAC(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C15H19Br2NO/c1-2-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10-14(17)9-12/h8-11H,2-7H2,1H3
InChIKeyUYVWEHSWAZUDNI-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.86
Rot. Bonds3

About (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone

(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 107980414) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID107980414
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C15H19Br2NO/c1-2-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10-14(17)9-12/h8-11H,2-7H2,1H3
InChIKeyUYVWEHSWAZUDNI-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107973305
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(4-tert-butylazepan-1-yl)-(3,5-dibromophenyl)methanone
CID 107980470
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243172
3-bromo-5-(4-ethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65370791
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone (CID 107980414) is (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is UYVWEHSWAZUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-2-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10-14(17)9-12/h8-11H,2-7H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone?
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 389.13 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 107980414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).