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

C25H48N4 — CID 135175353

IUPAC1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine
SMILESCC1CCN(CC2CCN(C)C(CC3CCN(C4CCN(C)CC4)CC3)C2)CC1
InChIInChI=1S/C25H48N4/c1-21-4-14-28(15-5-21)20-23-6-13-27(3)25(19-23)18-22-7-16-29(17-8-22)24-9-11-26(2)12-10-24/h21-25H,4-20H2,1-3H3
InChIKeyINMOSYMIWZKXDP-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.62
Rot. Bonds5

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

1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine (PubChem CID 135175353) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine
PubChem CID135175353
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine
SMILESCC1CCN(CC2CCN(C)C(CC3CCN(C4CCN(C)CC4)CC3)C2)CC1
InChIInChI=1S/C25H48N4/c1-21-4-14-28(15-5-21)20-23-6-13-27(3)25(19-23)18-22-7-16-29(17-8-22)24-9-11-26(2)12-10-24/h21-25H,4-20H2,1-3H3
InChIKeyINMOSYMIWZKXDP-UHFFFAOYSA-N
XLogP3.62
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine (CID 135175353) is 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine is CC1CCN(CC2CCN(C)C(CC3CCN(C4CCN(C)CC4)CC3)C2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine?
The InChIKey is INMOSYMIWZKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-21-4-14-28(15-5-21)20-23-6-13-27(3)25(19-23)18-22-7-16-29(17-8-22)24-9-11-26(2)12-10-24/h21-25H,4-20H2,1-3H3.
What are the key properties of 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine?
1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine has a molecular weight of 404.69 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 135175353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).