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

C12H18ClN3O — CID 114070518

IUPAC2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
SMILESNc1cc(Cl)nc(N2CCCCC2CCO)c1
InChIInChI=1S/C12H18ClN3O/c13-11-7-9(14)8-12(15-11)16-5-2-1-3-10(16)4-6-17/h7-8,10,17H,1-6H2,(H2,14,15)
InChIKeyAHNWARUGLVZIHC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.06
Rot. Bonds3

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

2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol (PubChem CID 114070518) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
PubChem CID114070518
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
SMILESNc1cc(Cl)nc(N2CCCCC2CCO)c1
InChIInChI=1S/C12H18ClN3O/c13-11-7-9(14)8-12(15-11)16-5-2-1-3-10(16)4-6-17/h7-8,10,17H,1-6H2,(H2,14,15)
InChIKeyAHNWARUGLVZIHC-UHFFFAOYSA-N
XLogP2.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
CID 104918926
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076327
2-[1-(6-hydrazinyl-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928543
2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748827
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490
2-[1-(5,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 114476751
3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol (CID 114070518) is 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol is Nc1cc(Cl)nc(N2CCCCC2CCO)c1.
What is the InChIKey of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol?
The InChIKey is AHNWARUGLVZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-7-9(14)8-12(15-11)16-5-2-1-3-10(16)4-6-17/h7-8,10,17H,1-6H2,(H2,14,15).
What are the key properties of 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol?
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 114070518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).