5-piperidin-3-yl-1,2,3,6-tetrahydropyridine

C10H18N2 — CID 90915270

IUPAC5-piperidin-3-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCCNC2)CNCC1
InChIInChI=1S/C10H18N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,10-12H,1-2,4-8H2
InChIKeyRBRVSHLUCKHKLU-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.91
Rot. Bonds1

About 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine

5-piperidin-3-yl-1,2,3,6-tetrahydropyridine (PubChem CID 90915270) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-piperidin-3-yl-1,2,3,6-tetrahydropyridine
PubChem CID90915270
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-piperidin-3-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCCNC2)CNCC1
InChIInChI=1S/C10H18N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,10-12H,1-2,4-8H2
InChIKeyRBRVSHLUCKHKLU-UHFFFAOYSA-N
XLogP0.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
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Hexahydro-cyclopenta(c)pyridine
CID 69895823
2-Azaspiro[5.5]undec-8-ene
CID 13106448
Octahydro 4,4'-bipyridyl
CID 4867470
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Octahydroisoquinoline
CID 17803259
1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
CID 53797068
Hexahydroisoquinoline
CID 54394851
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
Octahydro-benz[g]isochinoline
CID 129648171

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine (CID 90915270) is 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine is C1=C(C2CCCNC2)CNCC1.
What is the InChIKey of 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is RBRVSHLUCKHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,10-12H,1-2,4-8H2.
What are the key properties of 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
5-piperidin-3-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 90915270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).