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

C10H18N2 — CID 89037837

IUPAC2-piperidin-3-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CCCNC2)NC1
InChIInChI=1S/C10H18N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,9-12H,3-8H2
InChIKeyPYBZDULYINPFQZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.90
Rot. Bonds1

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

2-piperidin-3-yl-1,2,3,6-tetrahydropyridine (PubChem CID 89037837) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-piperidin-3-yl-1,2,3,6-tetrahydropyridine
PubChem CID89037837
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-piperidin-3-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CCCNC2)NC1
InChIInChI=1S/C10H18N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,9-12H,3-8H2
InChIKeyPYBZDULYINPFQZ-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674841
1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
2-Azabicyclo(2.2.2)oct-5-ene
CID 138007
1-Cyclohex-3-enylmethyl-piperidin-4-ylamine
CID 53407205
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Octahydrobenzo(f)quinoline
CID 67192496
2-Azaspiro[5.5]undec-8-ene
CID 13106448
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Octahydroisoquinoline
CID 17803259
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
Octahydro-benz[g]isochinoline
CID 129648171
trans-Octahydrobenzo(f)quinoline
CID 129670051

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine (CID 89037837) is 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine is C1=CCC(C2CCCNC2)NC1.
What is the InChIKey of 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is PYBZDULYINPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,9-12H,3-8H2.
What are the key properties of 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine?
2-piperidin-3-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89037837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).