1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine

C12H22N2 — CID 141124795

IUPAC1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3H,2,4-12H2
InChIKeyPMLIRQJFQOXLAY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine

1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 141124795) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID141124795
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3H,2,4-12H2
InChIKeyPMLIRQJFQOXLAY-UHFFFAOYSA-N
XLogP1.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine (CID 141124795) is 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine is C1=CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PMLIRQJFQOXLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3H,2,4-12H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 194.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141124795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).