4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine

C11H20N2 — CID 126635430

IUPAC4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(C2CCCNC2)CC1
InChIInChI=1S/C11H20N2/c1-10-4-7-13(8-5-10)11-3-2-6-12-9-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyDKNQTTCCGSWQDA-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.59
Rot. Bonds1

About 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine

4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine (PubChem CID 126635430) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine
PubChem CID126635430
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(C2CCCNC2)CC1
InChIInChI=1S/C11H20N2/c1-10-4-7-13(8-5-10)11-3-2-6-12-9-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyDKNQTTCCGSWQDA-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine (CID 126635430) is 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine is CC1C=CN(C2CCCNC2)CC1.
What is the InChIKey of 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine?
The InChIKey is DKNQTTCCGSWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-4-7-13(8-5-10)11-3-2-6-12-9-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3.
What are the key properties of 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine?
4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine has a molecular weight of 180.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-3-yl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 126635430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).