2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol

C12H18ClN3O2 — CID 104925064

IUPAC2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1cc(Cl)nc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C12H18ClN3O2/c13-11-7-9(14)8-12(15-11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6H2,(H2,14,15)
InChIKeyVUODLOLVYBZUSZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol

2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol (PubChem CID 104925064) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
PubChem CID104925064
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1cc(Cl)nc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C12H18ClN3O2/c13-11-7-9(14)8-12(15-11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6H2,(H2,14,15)
InChIKeyVUODLOLVYBZUSZ-UHFFFAOYSA-N
XLogP1.29
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
2-[1-(3-amino-5-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82696655
2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693070
2-[1-(5-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82696062
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107185687
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol (CID 104925064) is 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol is Nc1cc(Cl)nc(N2CCC(OCCO)CC2)c1.
What is the InChIKey of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol?
The InChIKey is VUODLOLVYBZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c13-11-7-9(14)8-12(15-11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6H2,(H2,14,15).
What are the key properties of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol?
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol has a molecular weight of 271.75 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 104925064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).