(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H18BrNO3 — CID 103956467

IUPAC(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)c(O)c1)N1CCCCC1CCO
InChIInChI=1S/C14H18BrNO3/c15-12-5-4-10(9-13(12)18)14(19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17-18H,1-3,6-8H2
InChIKeyREGINYXZBVRBMX-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.53
Rot. Bonds3

About (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103956467) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103956467
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)c(O)c1)N1CCCCC1CCO
InChIInChI=1S/C14H18BrNO3/c15-12-5-4-10(9-13(12)18)14(19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17-18H,1-3,6-8H2
InChIKeyREGINYXZBVRBMX-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(3-tert-butyl-4-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 59382234
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 114103310
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
(4-amino-3-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107075139
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
(3-bromo-4-fluorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 113354392
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 103956467) is (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)c(O)c1)N1CCCCC1CCO.
What is the InChIKey of (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is REGINYXZBVRBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-5-4-10(9-13(12)18)14(19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17-18H,1-3,6-8H2.
What are the key properties of (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 328.21 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103956467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).