3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine

C13H22N2 — CID 134433362

IUPAC3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
SMILESCC1=CC(C)(C2CCN(C)CC2)CN=C1
InChIInChI=1S/C13H22N2/c1-11-8-13(2,10-14-9-11)12-4-6-15(3)7-5-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeySZMZLWPDNDLHCB-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.37
Rot. Bonds1

About 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine

3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine (PubChem CID 134433362) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine.

Molecular Properties

Compound Name3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
PubChem CID134433362
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
SMILESCC1=CC(C)(C2CCN(C)CC2)CN=C1
InChIInChI=1S/C13H22N2/c1-11-8-13(2,10-14-9-11)12-4-6-15(3)7-5-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeySZMZLWPDNDLHCB-UHFFFAOYSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine?
The IUPAC name of 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine (CID 134433362) is 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine.
What is the SMILES notation for 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine?
The canonical SMILES for 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine is CC1=CC(C)(C2CCN(C)CC2)CN=C1.
What is the InChIKey of 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine?
The InChIKey is SZMZLWPDNDLHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-8-13(2,10-14-9-11)12-4-6-15(3)7-5-12/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine?
3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine has a molecular weight of 206.33 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine is sourced from PubChem (CID 134433362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).