1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine

C41H78N6 — CID 135279336

IUPAC1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(CCC5CCN(CC6CCN(C)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C41H78N6/c1-36-5-21-45(22-6-36)33-34-46-29-11-38(12-30-46)4-3-37-9-23-43(24-10-37)25-13-39-14-26-44(27-15-39)28-16-40-17-31-47(32-18-40)35-41-7-19-42(2)20-8-41/h36-41H,3-35H2,1-2H3
InChIKeyRBBLZDZZCJWJPG-UHFFFAOYSA-N
MW655.12 g/mol
LogP6.47
Rot. Bonds14

About 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine

1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine (PubChem CID 135279336) has the molecular formula C41H78N6 and a molecular weight of 655.12 g/mol. Its IUPAC name is 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
PubChem CID135279336
Molecular FormulaC41H78N6
Molecular Weight655.12 g/mol
Exact Mass654.63
IUPAC Name1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(CCC5CCN(CC6CCN(C)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C41H78N6/c1-36-5-21-45(22-6-36)33-34-46-29-11-38(12-30-46)4-3-37-9-23-43(24-10-37)25-13-39-14-26-44(27-15-39)28-16-40-17-31-47(32-18-40)35-41-7-19-42(2)20-8-41/h36-41H,3-35H2,1-2H3
InChIKeyRBBLZDZZCJWJPG-UHFFFAOYSA-N
XLogP6.47
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.12
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine (CID 135279336) is 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine is CC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(CCC5CCN(CC6CCN(C)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine?
The InChIKey is RBBLZDZZCJWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H78N6/c1-36-5-21-45(22-6-36)33-34-46-29-11-38(12-30-46)4-3-37-9-23-43(24-10-37)25-13-39-14-26-44(27-15-39)28-16-40-17-31-47(32-18-40)35-41-7-19-42(2)20-8-41/h36-41H,3-35H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine?
1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine has a molecular weight of 655.12 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 135279336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).