(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C14H19BrN2O2 — CID 109476401

IUPAC(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)O)CC2)c(Br)n1
InChIInChI=1S/C14H19BrN2O2/c1-9-3-4-12(13(15)16-9)14(19)17-7-5-11(6-8-17)10(2)18/h3-4,10-11,18H,5-8H2,1-2H3
InChIKeyZPYFZRPQYSTDLO-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.39
Rot. Bonds2

About (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 109476401) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID109476401
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)O)CC2)c(Br)n1
InChIInChI=1S/C14H19BrN2O2/c1-9-3-4-12(13(15)16-9)14(19)17-7-5-11(6-8-17)10(2)18/h3-4,10-11,18H,5-8H2,1-2H3
InChIKeyZPYFZRPQYSTDLO-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
CID 111434240
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(5-amino-2-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835086
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434119

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 109476401) is (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C(C)O)CC2)c(Br)n1.
What is the InChIKey of (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is ZPYFZRPQYSTDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-3-4-12(13(15)16-9)14(19)17-7-5-11(6-8-17)10(2)18/h3-4,10-11,18H,5-8H2,1-2H3.
What are the key properties of (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 109476401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).