(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol

C12H18N2O2 — CID 104892918

IUPAC(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)Oc1cccnc1N1CC[C@H](O)C1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-4-3-6-13-12(11)14-7-5-10(15)8-14/h3-4,6,9-10,15H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyHIQCEXMQINAAHV-JTQLQIEISA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds3

About (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol

(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 104892918) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
PubChem CID104892918
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)Oc1cccnc1N1CC[C@H](O)C1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-4-3-6-13-12(11)14-7-5-10(15)8-14/h3-4,6,9-10,15H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyHIQCEXMQINAAHV-JTQLQIEISA-N
XLogP1.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892838
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde
CID 113371296
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 113370657
2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 62942859
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine
CID 113371377
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
2-(3-bromo-4-methylpiperidin-1-yl)-3-propoxypyridine
CID 102961198
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198297

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol (CID 104892918) is (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol is CC(C)Oc1cccnc1N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is HIQCEXMQINAAHV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)16-11-4-3-6-13-12(11)14-7-5-10(15)8-14/h3-4,6,9-10,15H,5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol?
(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 104892918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).