(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

C13H20N2O — CID 97470194

IUPAC(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCCCN1CC[C@@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-7-15-8-5-13(16)12(15)9-11-4-3-6-14-10-11/h3-4,6,10,12-13,16H,2,5,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyWDQJPBRGXDYAPK-QWHCGFSZSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds4

About (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 97470194) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID97470194
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCCCN1CC[C@@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-7-15-8-5-13(16)12(15)9-11-4-3-6-14-10-11/h3-4,6,10,12-13,16H,2,5,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyWDQJPBRGXDYAPK-QWHCGFSZSA-N
XLogP1.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
(2S,3S)-1-[(4-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155823902
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155829406
(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 52988001
(2S,3R)-1-[(5-methylthiophen-2-yl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155835201
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 124796636
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131685105
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97470521

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 97470194) is (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is CCCN1CC[C@@H](O)[C@@H]1Cc1cccnc1.
What is the InChIKey of (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WDQJPBRGXDYAPK-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-7-15-8-5-13(16)12(15)9-11-4-3-6-14-10-11/h3-4,6,10,12-13,16H,2,5,7-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97470194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).