(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

C14H20ClN3O2 — CID 63656995

IUPAC(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,20)10-17-6-8-18(9-7-17)13(19)11-4-3-5-12(15)16-11/h3-5,20H,6-10H2,1-2H3
InChIKeyNIMXUQAOWUYBRF-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.26
Rot. Bonds3

About (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 63656995) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
PubChem CID63656995
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,20)10-17-6-8-18(9-7-17)13(19)11-4-3-5-12(15)16-11/h3-5,20H,6-10H2,1-2H3
InChIKeyNIMXUQAOWUYBRF-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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

(6-chloro-2-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 62233300
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656588
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one
CID 86895849
(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (CID 63656995) is (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is CC(C)(O)CN1CCN(C(=O)c2cccc(Cl)n2)CC1.
What is the InChIKey of (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is NIMXUQAOWUYBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(2,20)10-17-6-8-18(9-7-17)13(19)11-4-3-5-12(15)16-11/h3-5,20H,6-10H2,1-2H3.
What are the key properties of (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 297.79 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63656995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).