1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine

C24H46N4O — CID 175168890

IUPAC1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine
SMILESC1CCN(C(COCC(N2CCCCC2)N2CCCCC2)N2CCCCC2)CC1
InChIInChI=1S/C24H46N4O/c1-5-13-25(14-6-1)23(26-15-7-2-8-16-26)21-29-22-24(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h23-24H,1-22H2
InChIKeyZAOPBHLNJVXBBX-UHFFFAOYSA-N
MW406.66 g/mol
LogP3.60
Rot. Bonds8

About 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine

1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine (PubChem CID 175168890) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine
PubChem CID175168890
Molecular FormulaC24H46N4O
Molecular Weight406.66 g/mol
Exact Mass406.37
IUPAC Name1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine
SMILESC1CCN(C(COCC(N2CCCCC2)N2CCCCC2)N2CCCCC2)CC1
InChIInChI=1S/C24H46N4O/c1-5-13-25(14-6-1)23(26-15-7-2-8-16-26)21-29-22-24(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h23-24H,1-22H2
InChIKeyZAOPBHLNJVXBBX-UHFFFAOYSA-N
XLogP3.60
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine?
The IUPAC name of 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine (CID 175168890) is 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine.
What is the SMILES notation for 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine?
The canonical SMILES for 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine is C1CCN(C(COCC(N2CCCCC2)N2CCCCC2)N2CCCCC2)CC1.
What is the InChIKey of 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine?
The InChIKey is ZAOPBHLNJVXBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O/c1-5-13-25(14-6-1)23(26-15-7-2-8-16-26)21-29-22-24(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h23-24H,1-22H2.
What are the key properties of 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine?
1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine has a molecular weight of 406.66 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine is sourced from PubChem (CID 175168890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).