1-methyl-4-piperidin-1-yl-2H-pyridine

C11H18N2 — CID 121391419

IUPAC1-methyl-4-piperidin-1-yl-2H-pyridine
SMILESCN1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyDSGUUHOBEIMJFL-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.82
Rot. Bonds1

About 1-methyl-4-piperidin-1-yl-2H-pyridine

1-methyl-4-piperidin-1-yl-2H-pyridine (PubChem CID 121391419) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-yl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-yl-2H-pyridine
PubChem CID121391419
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-4-piperidin-1-yl-2H-pyridine
SMILESCN1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyDSGUUHOBEIMJFL-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-yl-2H-pyridine?
The IUPAC name of 1-methyl-4-piperidin-1-yl-2H-pyridine (CID 121391419) is 1-methyl-4-piperidin-1-yl-2H-pyridine.
What is the SMILES notation for 1-methyl-4-piperidin-1-yl-2H-pyridine?
The canonical SMILES for 1-methyl-4-piperidin-1-yl-2H-pyridine is CN1C=CC(N2CCCCC2)=CC1.
What is the InChIKey of 1-methyl-4-piperidin-1-yl-2H-pyridine?
The InChIKey is DSGUUHOBEIMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 1-methyl-4-piperidin-1-yl-2H-pyridine?
1-methyl-4-piperidin-1-yl-2H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-yl-2H-pyridine is sourced from PubChem (CID 121391419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).