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

C12H17BrN2O2 — CID 62372670

IUPAC(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(CCO)C1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-11(14-7-10)12(17)15-4-1-2-9(8-15)3-5-16/h6-7,9,14,16H,1-5,8H2
InChIKeyYKLKPOHMEOTPON-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.01
Rot. Bonds3

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

(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62372670) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62372670
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(CCO)C1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-11(14-7-10)12(17)15-4-1-2-9(8-15)3-5-16/h6-7,9,14,16H,1-5,8H2
InChIKeyYKLKPOHMEOTPON-UHFFFAOYSA-N
XLogP2.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
CID 61129030
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95376910
(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(5-bromo-2-chloro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855464
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
(4-bromo-1H-pyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411245

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62372670) is (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Br)c[nH]1)N1CCCC(CCO)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is YKLKPOHMEOTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-10-6-11(14-7-10)12(17)15-4-1-2-9(8-15)3-5-16/h6-7,9,14,16H,1-5,8H2.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 301.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62372670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).