(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol

C12H20N2O2 — CID 83132161

IUPAC(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
SMILESCOCCCN(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C12H20N2O2/c1-10(15)12-6-5-11(9-13-12)14(2)7-4-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m1/s1
InChIKeyXEECZVGLLWZANV-SNVBAGLBSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds6

About (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol

(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132161) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
PubChem CID83132161
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
SMILESCOCCCN(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C12H20N2O2/c1-10(15)12-6-5-11(9-13-12)14(2)7-4-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m1/s1
InChIKeyXEECZVGLLWZANV-SNVBAGLBSA-N
XLogP1.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
CID 83126972
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
CID 104869711
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
CID 83132424
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol (CID 83132161) is (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol is COCCCN(C)c1ccc([C@@H](C)O)nc1.
What is the InChIKey of (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol?
The InChIKey is XEECZVGLLWZANV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(15)12-6-5-11(9-13-12)14(2)7-4-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol?
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).