2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine

C13H20N2 — CID 71215497

IUPAC2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
SMILESCCCN1CCC[C@H]1Cc1ccccn1
InChIInChI=1S/C13H20N2/c1-2-9-15-10-5-7-13(15)11-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyGPMCYCIWMWIOEZ-ZDUSSCGKSA-N
MW204.32 g/mol
LogP2.50
Rot. Bonds4

About 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine

2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine (PubChem CID 71215497) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
PubChem CID71215497
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
SMILESCCCN1CCC[C@H]1Cc1ccccn1
InChIInChI=1S/C13H20N2/c1-2-9-15-10-5-7-13(15)11-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyGPMCYCIWMWIOEZ-ZDUSSCGKSA-N
XLogP2.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2-[(1,2-dimethylpiperidin-4-yl)methyl]pyridine
CID 174968091
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
CID 124846378

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine (CID 71215497) is 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine is CCCN1CCC[C@H]1Cc1ccccn1.
What is the InChIKey of 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine?
The InChIKey is GPMCYCIWMWIOEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-9-15-10-5-7-13(15)11-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine?
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 71215497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).