(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H18BrNO2 — CID 62372501

IUPAC(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18BrNO2/c15-13-5-1-4-12(9-13)14(18)16-7-2-3-11(10-16)6-8-17/h1,4-5,9,11,17H,2-3,6-8,10H2
InChIKeyUKLYLXHPSDGQNH-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.68
Rot. Bonds3

About (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62372501) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62372501
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18BrNO2/c15-13-5-1-4-12(9-13)14(18)16-7-2-3-11(10-16)6-8-17/h1,4-5,9,11,17H,2-3,6-8,10H2
InChIKeyUKLYLXHPSDGQNH-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
[3-(3-aminoprop-1-ynyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228521
(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
[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
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62372501) is (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCCC(CCO)C1.
What is the InChIKey of (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is UKLYLXHPSDGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-5-1-4-12(9-13)14(18)16-7-2-3-11(10-16)6-8-17/h1,4-5,9,11,17H,2-3,6-8,10H2.
What are the key properties of (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 312.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62372501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).