(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol

C12H18N2O2 — CID 104892838

IUPAC(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCCCOc1cccnc1N1CC[C@H](O)C1
InChIInChI=1S/C12H18N2O2/c1-2-8-16-11-4-3-6-13-12(11)14-7-5-10(15)9-14/h3-4,6,10,15H,2,5,7-9H2,1H3/t10-/m0/s1
InChIKeyDLDGXIYHQRQBAS-JTQLQIEISA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds4

About (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol

(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 104892838) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
PubChem CID104892838
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCCCOc1cccnc1N1CC[C@H](O)C1
InChIInChI=1S/C12H18N2O2/c1-2-8-16-11-4-3-6-13-12(11)14-7-5-10(15)9-14/h3-4,6,10,15H,2,5,7-9H2,1H3/t10-/m0/s1
InChIKeyDLDGXIYHQRQBAS-JTQLQIEISA-N
XLogP1.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

2-(3-bromo-4-methylpiperidin-1-yl)-3-propoxypyridine
CID 102961198
(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892918
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 113371134
2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 62942859
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 113370657
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110311
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol (CID 104892838) is (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol is CCCOc1cccnc1N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is DLDGXIYHQRQBAS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-8-16-11-4-3-6-13-12(11)14-7-5-10(15)9-14/h3-4,6,10,15H,2,5,7-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol?
(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 104892838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).