5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine

C34H62N6 — CID 5249502

IUPAC5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine
SMILESCC1=CCC(C2CCCC(C3CCC(CCC4CCC(C5CCCC(C6CCC(C)CN6)N5)NC4)CN3)N2)NC1
InChIInChI=1S/C34H62N6/c1-23-9-15-27(35-19-23)31-5-3-7-33(39-31)29-17-13-25(21-37-29)11-12-26-14-18-30(38-22-26)34-8-4-6-32(40-34)28-16-10-24(2)20-36-28/h9,24-40H,3-8,10-22H2,1-2H3
InChIKeyXGFUUUKSUZGBAJ-UHFFFAOYSA-N
MW554.91 g/mol
LogP4.22
Rot. Bonds7

About 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine

5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 5249502) has the molecular formula C34H62N6 and a molecular weight of 554.91 g/mol. Its IUPAC name is 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine
PubChem CID5249502
Molecular FormulaC34H62N6
Molecular Weight554.91 g/mol
Exact Mass554.50
IUPAC Name5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine
SMILESCC1=CCC(C2CCCC(C3CCC(CCC4CCC(C5CCCC(C6CCC(C)CN6)N5)NC4)CN3)N2)NC1
InChIInChI=1S/C34H62N6/c1-23-9-15-27(35-19-23)31-5-3-7-33(39-31)29-17-13-25(21-37-29)11-12-26-14-18-30(38-22-26)34-8-4-6-32(40-34)28-16-10-24(2)20-36-28/h9,24-40H,3-8,10-22H2,1-2H3
InChIKeyXGFUUUKSUZGBAJ-UHFFFAOYSA-N
XLogP4.22
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.91
LogP ≤ 54.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine (CID 5249502) is 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine is CC1=CCC(C2CCCC(C3CCC(CCC4CCC(C5CCCC(C6CCC(C)CN6)N5)NC4)CN3)N2)NC1.
What is the InChIKey of 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is XGFUUUKSUZGBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N6/c1-23-9-15-27(35-19-23)31-5-3-7-33(39-31)29-17-13-25(21-37-29)11-12-26-14-18-30(38-22-26)34-8-4-6-32(40-34)28-16-10-24(2)20-36-28/h9,24-40H,3-8,10-22H2,1-2H3.
What are the key properties of 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine?
5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 554.91 g/mol, XLogP of 4.22, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-[5-[2-[6-[6-(5-methylpiperidin-2-yl)piperidin-2-yl]piperidin-3-yl]ethyl]piperidin-2-yl]piperidin-2-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5249502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).