(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol

C14H18N2O — CID 58525427

IUPAC(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@H](O)[C@H]1CC1=CCc2ncccc21
InChIInChI=1S/C14H18N2O/c1-16-8-6-14(17)13(16)9-10-4-5-12-11(10)3-2-7-15-12/h2-4,7,13-14,17H,5-6,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyRAXUZHCFBYQASK-KGLIPLIRSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds2

About (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol

(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol (PubChem CID 58525427) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol
PubChem CID58525427
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@H](O)[C@H]1CC1=CCc2ncccc21
InChIInChI=1S/C14H18N2O/c1-16-8-6-14(17)13(16)9-10-4-5-12-11(10)3-2-7-15-12/h2-4,7,13-14,17H,5-6,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyRAXUZHCFBYQASK-KGLIPLIRSA-N
XLogP1.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-2-pyridinyl]hydrazine
CID 79175108
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine
CID 137457697
(6R)-3-methyl-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 68800251
1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
CID 12841383
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol
CID 23630834
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol (CID 58525427) is (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol is CN1CC[C@H](O)[C@H]1CC1=CCc2ncccc21.
What is the InChIKey of (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is RAXUZHCFBYQASK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-8-6-14(17)13(16)9-10-4-5-12-11(10)3-2-7-15-12/h2-4,7,13-14,17H,5-6,8-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol?
(2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 230.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 58525427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).