2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine

C13H20N2O — CID 95632872

IUPAC2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
SMILESCCO[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQVJGVDQKZXUTAK-ZDUSSCGKSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds4

About 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine

2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine (PubChem CID 95632872) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
PubChem CID95632872
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
SMILESCCO[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQVJGVDQKZXUTAK-ZDUSSCGKSA-N
XLogP2.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
5-[(3-ethoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056225
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
CID 92621942
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine (CID 95632872) is 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine is CCO[C@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine?
The InChIKey is QVJGVDQKZXUTAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine?
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine has a molecular weight of 220.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95632872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).