2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine

C17H26N2O2 — CID 102233988

IUPAC2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine
SMILESCC1CCCC(CCC2(C)OCCO2)N1c1ccccn1
InChIInChI=1S/C17H26N2O2/c1-14-6-5-7-15(9-10-17(2)20-12-13-21-17)19(14)16-8-3-4-11-18-16/h3-4,8,11,14-15H,5-7,9-10,12-13H2,1-2H3
InChIKeySMWQPRUUNBJWEW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.37
Rot. Bonds4

About 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine

2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine (PubChem CID 102233988) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine
PubChem CID102233988
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine
SMILESCC1CCCC(CCC2(C)OCCO2)N1c1ccccn1
InChIInChI=1S/C17H26N2O2/c1-14-6-5-7-15(9-10-17(2)20-12-13-21-17)19(14)16-8-3-4-11-18-16/h3-4,8,11,14-15H,5-7,9-10,12-13H2,1-2H3
InChIKeySMWQPRUUNBJWEW-UHFFFAOYSA-N
XLogP3.37
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine (CID 102233988) is 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine is CC1CCCC(CCC2(C)OCCO2)N1c1ccccn1.
What is the InChIKey of 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine?
The InChIKey is SMWQPRUUNBJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-6-5-7-15(9-10-17(2)20-12-13-21-17)19(14)16-8-3-4-11-18-16/h3-4,8,11,14-15H,5-7,9-10,12-13H2,1-2H3.
What are the key properties of 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine?
2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine has a molecular weight of 290.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 102233988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).