piperidine;1,2,3,6-tetrahydropyridine

C10H20N2 — CID 162059856

IUPACpiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCNCC1
InChIInChI=1S/C5H11N.C5H9N/c2*1-2-4-6-5-3-1/h6H,1-5H2;1-2,6H,3-5H2
InChIKeyYZRLGPFELGKANI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.30
Rot. Bonds

About piperidine;1,2,3,6-tetrahydropyridine

piperidine;1,2,3,6-tetrahydropyridine (PubChem CID 162059856) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is piperidine;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Namepiperidine;1,2,3,6-tetrahydropyridine
PubChem CID162059856
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Namepiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCNCC1
InChIInChI=1S/C5H11N.C5H9N/c2*1-2-4-6-5-3-1/h6H,1-5H2;1-2,6H,3-5H2
InChIKeyYZRLGPFELGKANI-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.30
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

1,2,3,6-tetrahydropyridine
CID 12750
(4E,8E)-1,2,3,6,7,10-hexahydroazecine
CID 142299447
(9Z)-1-azacyclopentadec-9-ene
CID 10822312
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
azacyclotriacontane
CID 57238597
1-azacyclotetradeca-7,10-diene
CID 70114442
(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate
CID 11081138
hexane-1,6-diamine;2,3,4,7-tetrahydro-1H-azepine
CID 67505507

Frequently Asked Questions

What is the IUPAC name of piperidine;1,2,3,6-tetrahydropyridine?
The IUPAC name of piperidine;1,2,3,6-tetrahydropyridine (CID 162059856) is piperidine;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for piperidine;1,2,3,6-tetrahydropyridine?
The canonical SMILES for piperidine;1,2,3,6-tetrahydropyridine is C1=CCNCC1.C1CCNCC1.
What is the InChIKey of piperidine;1,2,3,6-tetrahydropyridine?
The InChIKey is YZRLGPFELGKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H9N/c2*1-2-4-6-5-3-1/h6H,1-5H2;1-2,6H,3-5H2.
What are the key properties of piperidine;1,2,3,6-tetrahydropyridine?
piperidine;1,2,3,6-tetrahydropyridine has a molecular weight of 168.28 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 162059856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).