1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine

C26H50N4O2 — CID 167009683

IUPAC1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine
SMILESCN1CCC(COCC2CCN(CN3CCC(COCC4CCNCC4)CC3)CC2)CC1
InChIInChI=1S/C26H50N4O2/c1-28-12-4-24(5-13-28)19-32-21-26-8-16-30(17-9-26)22-29-14-6-25(7-15-29)20-31-18-23-2-10-27-11-3-23/h23-27H,2-22H2,1H3
InChIKeyBABZEGIGJLZONT-UHFFFAOYSA-N
MW450.71 g/mol
LogP2.74
Rot. Bonds10

About 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine

1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine (PubChem CID 167009683) has the molecular formula C26H50N4O2 and a molecular weight of 450.71 g/mol. Its IUPAC name is 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine
PubChem CID167009683
Molecular FormulaC26H50N4O2
Molecular Weight450.71 g/mol
Exact Mass450.39
IUPAC Name1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine
SMILESCN1CCC(COCC2CCN(CN3CCC(COCC4CCNCC4)CC3)CC2)CC1
InChIInChI=1S/C26H50N4O2/c1-28-12-4-24(5-13-28)19-32-21-26-8-16-30(17-9-26)22-29-14-6-25(7-15-29)20-31-18-23-2-10-27-11-3-23/h23-27H,2-22H2,1H3
InChIKeyBABZEGIGJLZONT-UHFFFAOYSA-N
XLogP2.74
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.71
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine with MolForge

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine
CID 162741483
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
piperidin-4-ylmethoxymethylalumane
CID 146804034
4-(but-2-ynoxymethyl)piperidine
CID 62340239
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 124547983
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
1-methyl-4-(2-propylpentoxymethyl)piperidine
CID 162741484

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine?
The IUPAC name of 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine (CID 167009683) is 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine?
The canonical SMILES for 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine is CN1CCC(COCC2CCN(CN3CCC(COCC4CCNCC4)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine?
The InChIKey is BABZEGIGJLZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O2/c1-28-12-4-24(5-13-28)19-32-21-26-8-16-30(17-9-26)22-29-14-6-25(7-15-29)20-31-18-23-2-10-27-11-3-23/h23-27H,2-22H2,1H3.
What are the key properties of 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine?
1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine has a molecular weight of 450.71 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine is sourced from PubChem (CID 167009683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).