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

C14H19BrN2O2 — CID 107209671

IUPAC(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc(Br)c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-3-11(16)8-12(13)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9,16H2
InChIKeyUHSPLNFZPDLPLK-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.27
Rot. Bonds3

About (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107209671) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107209671
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc(Br)c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-3-11(16)8-12(13)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9,16H2
InChIKeyUHSPLNFZPDLPLK-UHFFFAOYSA-N
XLogP2.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 120727640
(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
(5-amino-2-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796669
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107209671) is (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1ccc(Br)c(C(=O)N2CCCC(CCO)C2)c1.
What is the InChIKey of (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is UHSPLNFZPDLPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-4-3-11(16)8-12(13)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9,16H2.
What are the key properties of (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107209671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).