5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine

C13H21N2+ — CID 7141690

IUPAC5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
SMILESCCc1ccc(C[C@H]2CCCC[NH2+]2)nc1
InChIInChI=1S/C13H20N2/c1-2-11-6-7-13(15-10-11)9-12-5-3-4-8-14-12/h6-7,10,12,14H,2-5,8-9H2,1H3/p+1/t12-/m1/s1
InChIKeyDRRSLOPRTNQECX-GFCCVEGCSA-O
MW205.33 g/mol
LogP1.30
Rot. Bonds3

About 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine

5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine (PubChem CID 7141690) has the molecular formula C13H21N2+ and a molecular weight of 205.33 g/mol. Its IUPAC name is 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
PubChem CID7141690
Molecular FormulaC13H21N2+
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC Name5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
SMILESCCc1ccc(C[C@H]2CCCC[NH2+]2)nc1
InChIInChI=1S/C13H20N2/c1-2-11-6-7-13(15-10-11)9-12-5-3-4-8-14-12/h6-7,10,12,14H,2-5,8-9H2,1H3/p+1/t12-/m1/s1
InChIKeyDRRSLOPRTNQECX-GFCCVEGCSA-O
XLogP1.30
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The IUPAC name of 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine (CID 7141690) is 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The canonical SMILES for 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine is CCc1ccc(C[C@H]2CCCC[NH2+]2)nc1.
What is the InChIKey of 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The InChIKey is DRRSLOPRTNQECX-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H20N2/c1-2-11-6-7-13(15-10-11)9-12-5-3-4-8-14-12/h6-7,10,12,14H,2-5,8-9H2,1H3/p+1/t12-/m1/s1.
What are the key properties of 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine has a molecular weight of 205.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine is sourced from PubChem (CID 7141690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).