4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine

C14H24N2 — CID 154937607

IUPAC4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine
SMILESCC(C1=CNCCC1)C(C)C1=CCNCC1
InChIInChI=1S/C14H24N2/c1-11(13-5-8-15-9-6-13)12(2)14-4-3-7-16-10-14/h5,10-12,15-16H,3-4,6-9H2,1-2H3
InChIKeyYEZJZWRUUXOXHY-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.45
Rot. Bonds3

About 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine

4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 154937607) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine
PubChem CID154937607
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine
SMILESCC(C1=CNCCC1)C(C)C1=CCNCC1
InChIInChI=1S/C14H24N2/c1-11(13-5-8-15-9-6-13)12(2)14-4-3-7-16-10-14/h5,10-12,15-16H,3-4,6-9H2,1-2H3
InChIKeyYEZJZWRUUXOXHY-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
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 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine (CID 154937607) is 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine is CC(C1=CNCCC1)C(C)C1=CCNCC1.
What is the InChIKey of 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is YEZJZWRUUXOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(13-5-8-15-9-6-13)12(2)14-4-3-7-16-10-14/h5,10-12,15-16H,3-4,6-9H2,1-2H3.
What are the key properties of 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine?
4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 220.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2,3,4-tetrahydropyridin-5-yl)butan-2-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 154937607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).