3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane

C17H32N2 — CID 142002243

IUPAC3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane
SMILESCCC.CCC1=CN(C[C@@H]2CCCNC2)C=CC1C
InChIInChI=1S/C14H24N2.C3H8/c1-3-14-11-16(8-6-12(14)2)10-13-5-4-7-15-9-13;1-3-2/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3;3H2,1-2H3/t12?,13-;/m1./s1
InChIKeyZQAGTJZYKBWDQD-MGWDBEAMSA-N
MW264.46 g/mol
LogP4.16
Rot. Bonds3

About 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane

3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane (PubChem CID 142002243) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane
PubChem CID142002243
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane
SMILESCCC.CCC1=CN(C[C@@H]2CCCNC2)C=CC1C
InChIInChI=1S/C14H24N2.C3H8/c1-3-14-11-16(8-6-12(14)2)10-13-5-4-7-15-9-13;1-3-2/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3;3H2,1-2H3/t12?,13-;/m1./s1
InChIKeyZQAGTJZYKBWDQD-MGWDBEAMSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane?
The IUPAC name of 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane (CID 142002243) is 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane.
What is the SMILES notation for 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane?
The canonical SMILES for 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane is CCC.CCC1=CN(C[C@@H]2CCCNC2)C=CC1C.
What is the InChIKey of 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane?
The InChIKey is ZQAGTJZYKBWDQD-MGWDBEAMSA-N. The full InChI is InChI=1S/C14H24N2.C3H8/c1-3-14-11-16(8-6-12(14)2)10-13-5-4-7-15-9-13;1-3-2/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3;3H2,1-2H3/t12?,13-;/m1./s1.
What are the key properties of 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane?
3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane has a molecular weight of 264.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-[[(3R)-piperidin-3-yl]methyl]-4H-pyridine;propane is sourced from PubChem (CID 142002243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).