(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C14H20ClN3O2 — CID 110027477

IUPAC(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(CCO)CC2)c(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-10-9-11(2)16-13(15)12(10)14(20)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyFIZIDMSXXDVWTF-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.10
Rot. Bonds3

About (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 110027477) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID110027477
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(CCO)CC2)c(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-10-9-11(2)16-13(15)12(10)14(20)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyFIZIDMSXXDVWTF-UHFFFAOYSA-N
XLogP1.10
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23943369
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110882472
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111105286
(5-chloro-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 82883631
(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43390963
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
CID 61177324
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110660029
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226309

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 110027477) is (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(CCO)CC2)c(Cl)n1.
What is the InChIKey of (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is FIZIDMSXXDVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-9-11(2)16-13(15)12(10)14(20)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3.
What are the key properties of (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 297.79 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110027477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).