(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol

C11H18N2O — CID 75444116

IUPAC(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ccncc1
InChIInChI=1S/C11H18N2O/c1-3-11(14)8-13-9(2)10-4-6-12-7-5-10/h4-7,9,11,13-14H,3,8H2,1-2H3/t9?,11-/m1/s1
InChIKeyQHCMDQAOHGWLBQ-HCCKASOXSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds5

About (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol

(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol (PubChem CID 75444116) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
PubChem CID75444116
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ccncc1
InChIInChI=1S/C11H18N2O/c1-3-11(14)8-13-9(2)10-4-6-12-7-5-10/h4-7,9,11,13-14H,3,8H2,1-2H3/t9?,11-/m1/s1
InChIKeyQHCMDQAOHGWLBQ-HCCKASOXSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
CID 103258965

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol?
The IUPAC name of (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol (CID 75444116) is (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol.
What is the SMILES notation for (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol?
The canonical SMILES for (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol is CC[C@@H](O)CNC(C)c1ccncc1.
What is the InChIKey of (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol?
The InChIKey is QHCMDQAOHGWLBQ-HCCKASOXSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(14)8-13-9(2)10-4-6-12-7-5-10/h4-7,9,11,13-14H,3,8H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol?
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol is sourced from PubChem (CID 75444116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).