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

C40H74N6 — CID 5255349

IUPAC6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCCC(C(C)(C2C=CCC(CCC3CCCC(C(C)(C4CCCC(C)N4)C4CCCC(C)N4)N3)N2)C2CCCC(C)N2)N1
InChIInChI=1S/C40H74N6/c1-27-13-7-19-33(41-27)39(5,34-20-8-14-28(2)42-34)37-23-11-17-31(45-37)25-26-32-18-12-24-38(46-32)40(6,35-21-9-15-29(3)43-35)36-22-10-16-30(4)44-36/h11,23,27-38,41-46H,7-10,12-22,24-26H2,1-6H3
InChIKeyOQLZKECOLDLWLH-UHFFFAOYSA-N
MW639.07 g/mol
LogP6.70
Rot. Bonds9

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

6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 5255349) has the molecular formula C40H74N6 and a molecular weight of 639.07 g/mol. Its IUPAC name is 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID5255349
Molecular FormulaC40H74N6
Molecular Weight639.07 g/mol
Exact Mass638.60
IUPAC Name6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCCC(C(C)(C2C=CCC(CCC3CCCC(C(C)(C4CCCC(C)N4)C4CCCC(C)N4)N3)N2)C2CCCC(C)N2)N1
InChIInChI=1S/C40H74N6/c1-27-13-7-19-33(41-27)39(5,34-20-8-14-28(2)42-34)37-23-11-17-31(45-37)25-26-32-18-12-24-38(46-32)40(6,35-21-9-15-29(3)43-35)36-22-10-16-30(4)44-36/h11,23,27-38,41-46H,7-10,12-22,24-26H2,1-6H3
InChIKeyOQLZKECOLDLWLH-UHFFFAOYSA-N
XLogP6.70
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500639.07
LogP ≤ 56.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine (CID 5255349) is 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine is CC1CCCC(C(C)(C2C=CCC(CCC3CCCC(C(C)(C4CCCC(C)N4)C4CCCC(C)N4)N3)N2)C2CCCC(C)N2)N1.
What is the InChIKey of 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OQLZKECOLDLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74N6/c1-27-13-7-19-33(41-27)39(5,34-20-8-14-28(2)42-34)37-23-11-17-31(45-37)25-26-32-18-12-24-38(46-32)40(6,35-21-9-15-29(3)43-35)36-22-10-16-30(4)44-36/h11,23,27-38,41-46H,7-10,12-22,24-26H2,1-6H3.
What are the key properties of 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine?
6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 639.07 g/mol, XLogP of 6.70, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]-2-[2-[6-[1,1-bis(6-methylpiperidin-2-yl)ethyl]piperidin-2-yl]ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5255349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).