(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H17Br2NO2 — CID 103909359

IUPAC(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H17Br2NO2/c15-12-6-11(7-13(16)8-12)14(19)17-4-1-2-10(9-17)3-5-18/h6-8,10,18H,1-5,9H2
InChIKeyXOHBOUNJSPSLCA-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.45
Rot. Bonds3

About (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103909359) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103909359
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H17Br2NO2/c15-12-6-11(7-13(16)8-12)14(19)17-4-1-2-10(9-17)3-5-18/h6-8,10,18H,1-5,9H2
InChIKeyXOHBOUNJSPSLCA-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-bromoethyl)piperidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022950
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372670
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 103909359) is (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Br)cc(Br)c1)N1CCCC(CCO)C1.
What is the InChIKey of (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is XOHBOUNJSPSLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c15-12-6-11(7-13(16)8-12)14(19)17-4-1-2-10(9-17)3-5-18/h6-8,10,18H,1-5,9H2.
What are the key properties of (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 391.10 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103909359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).