2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol

C12H18BrN3O2 — CID 82695714

IUPAC2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1cnc(N2CCC(OCCO)CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3O2/c13-11-7-9(14)8-15-12(11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6,14H2
InChIKeyOTINVZUVMNZYSO-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol

2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol (PubChem CID 82695714) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
PubChem CID82695714
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1cnc(N2CCC(OCCO)CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3O2/c13-11-7-9(14)8-15-12(11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6,14H2
InChIKeyOTINVZUVMNZYSO-UHFFFAOYSA-N
XLogP1.40
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol (CID 82695714) is 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol is Nc1cnc(N2CCC(OCCO)CC2)c(Br)c1.
What is the InChIKey of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol?
The InChIKey is OTINVZUVMNZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c13-11-7-9(14)8-15-12(11)16-3-1-10(2-4-16)18-6-5-17/h7-8,10,17H,1-6,14H2.
What are the key properties of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol?
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol has a molecular weight of 316.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82695714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).