(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol

C12H17NO2 — CID 164635880

IUPAC(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol
SMILESC[C@H](O)CCOc1ccc2c(n1)CCC2
InChIInChI=1S/C12H17NO2/c1-9(14)7-8-15-12-6-5-10-3-2-4-11(10)13-12/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyXMQHFZAILMTZGO-VIFPVBQESA-N
MW207.27 g/mol
LogP1.72
Rot. Bonds4

About (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol

(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol (PubChem CID 164635880) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol
PubChem CID164635880
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol
SMILESC[C@H](O)CCOc1ccc2c(n1)CCC2
InChIInChI=1S/C12H17NO2/c1-9(14)7-8-15-12-6-5-10-3-2-4-11(10)13-12/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyXMQHFZAILMTZGO-VIFPVBQESA-N
XLogP1.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Methyl-6-phenylmethoxypyridine
CID 261829
1,2-Propanediol, 3-(2-quinolyloxy)-
CID 115618
US11401286, Example 260
CID 90338561
US11401286, Example 257
CID 90338583
2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
(6-Methoxy-2-methylpyridin-3-yl)methanol
CID 58849689
[2-(Benzyloxy)-4,6-dimethylpyridin-3-yl]methanol
CID 61255489
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
(6-Methoxy-3-methylpyridin-2-yl)methanol
CID 89385899
1-[2-Fluoro-6-(4-hexoxyphenyl)-3-pyridinyl]octan-1-ol
CID 54512388
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
(1R,2S)-1-fluoro-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 177855958

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol?
The IUPAC name of (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol (CID 164635880) is (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol.
What is the SMILES notation for (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol?
The canonical SMILES for (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol is C[C@H](O)CCOc1ccc2c(n1)CCC2.
What is the InChIKey of (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol?
The InChIKey is XMQHFZAILMTZGO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)7-8-15-12-6-5-10-3-2-4-11(10)13-12/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol?
(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol has a molecular weight of 207.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol is sourced from PubChem (CID 164635880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).