1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine

C20H40N4 — CID 155184395

IUPAC1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine
SMILESCCN1CCC(CN2CCN(CC3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C20H40N4/c1-3-21-9-5-19(6-10-21)17-23-13-15-24(16-14-23)18-20-7-11-22(4-2)12-8-20/h19-20H,3-18H2,1-2H3
InChIKeyWWPMOYRBWUXBHE-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.07
Rot. Bonds6

About 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine

1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine (PubChem CID 155184395) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine
PubChem CID155184395
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine
SMILESCCN1CCC(CN2CCN(CC3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C20H40N4/c1-3-21-9-5-19(6-10-21)17-23-13-15-24(16-14-23)18-20-7-11-22(4-2)12-8-20/h19-20H,3-18H2,1-2H3
InChIKeyWWPMOYRBWUXBHE-UHFFFAOYSA-N
XLogP2.07
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine (CID 155184395) is 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine is CCN1CCC(CN2CCN(CC3CCN(CC)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine?
The InChIKey is WWPMOYRBWUXBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-3-21-9-5-19(6-10-21)17-23-13-15-24(16-14-23)18-20-7-11-22(4-2)12-8-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine?
1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine has a molecular weight of 336.57 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-ethylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 155184395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).