5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine

C12H22N2 — CID 117125550

IUPAC5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCN2CCCCC2)CNCC1
InChIInChI=1S/C12H22N2/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12/h5,13H,1-4,6-11H2
InChIKeyKVKOLKIGRGVNFQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds3

About 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine

5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 117125550) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine
PubChem CID117125550
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCN2CCCCC2)CNCC1
InChIInChI=1S/C12H22N2/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12/h5,13H,1-4,6-11H2
InChIKeyKVKOLKIGRGVNFQ-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine (CID 117125550) is 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine is C1=C(CCN2CCCCC2)CNCC1.
What is the InChIKey of 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KVKOLKIGRGVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12/h5,13H,1-4,6-11H2.
What are the key properties of 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine?
5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 117125550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).