2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine

C14H22N2 — CID 58154560

IUPAC2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(CN2CCCCC2)nc1
InChIInChI=1S/C14H22N2/c1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyITJIGJOUNLGOMI-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.19
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine

2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine (PubChem CID 58154560) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
PubChem CID58154560
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(CN2CCCCC2)nc1
InChIInChI=1S/C14H22N2/c1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyITJIGJOUNLGOMI-UHFFFAOYSA-N
XLogP3.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine (CID 58154560) is 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine is CC(C)c1ccc(CN2CCCCC2)nc1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine?
The InChIKey is ITJIGJOUNLGOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine?
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine is sourced from PubChem (CID 58154560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).