(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol

C10H14N2O — CID 104892823

IUPAC(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
SMILESCc1cnccc1N1CC[C@H](O)C1
InChIInChI=1S/C10H14N2O/c1-8-6-11-4-2-10(8)12-5-3-9(13)7-12/h2,4,6,9,13H,3,5,7H2,1H3/t9-/m0/s1
InChIKeyGROFBNZNAOMPGA-VIFPVBQESA-N
MW178.24 g/mol
LogP0.96
Rot. Bonds1

About (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol

(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol (PubChem CID 104892823) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
PubChem CID104892823
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
SMILESCc1cnccc1N1CC[C@H](O)C1
InChIInChI=1S/C10H14N2O/c1-8-6-11-4-2-10(8)12-5-3-9(13)7-12/h2,4,6,9,13H,3,5,7H2,1H3/t9-/m0/s1
InChIKeyGROFBNZNAOMPGA-VIFPVBQESA-N
XLogP0.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
CID 81211136
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
4-methyl-1-(3-methyl-4-pyridinyl)pyrrolidin-3-amine
CID 103577369
1-(5-nitroisoquinolin-8-yl)pyrrolidin-3-ol
CID 103142543
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
CID 176665263
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol (CID 104892823) is (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol is Cc1cnccc1N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol?
The InChIKey is GROFBNZNAOMPGA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-11-4-2-10(8)12-5-3-9(13)7-12/h2,4,6,9,13H,3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol?
(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 104892823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).