1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

C19H34N3O+3 — CID 7026518

IUPAC1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C19H31N3O/c1-3-20-12-14-22(15-13-20)18-8-10-21(11-9-18)16-17-4-6-19(23-2)7-5-17/h4-7,18H,3,8-16H2,1-2H3/p+3
InChIKeyRZBTVJVBJOAOIW-UHFFFAOYSA-Q
MW320.50 g/mol
LogP-1.95
Rot. Bonds5

About 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium (PubChem CID 7026518) has the molecular formula C19H34N3O+3 and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
PubChem CID7026518
Molecular FormulaC19H34N3O+3
Molecular Weight320.50 g/mol
Exact Mass320.27
IUPAC Name1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C19H31N3O/c1-3-20-12-14-22(15-13-20)18-8-10-21(11-9-18)16-17-4-6-19(23-2)7-5-17/h4-7,18H,3,8-16H2,1-2H3/p+3
InChIKeyRZBTVJVBJOAOIW-UHFFFAOYSA-Q
XLogP-1.95
TPSA22.55 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium with MolForge

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium
CID 7471844
1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium
CID 4754357
(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
CID 6937934
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 7439248
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 6945670
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 4741925
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 6943042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium?
The IUPAC name of 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium (CID 7026518) is 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium.
What is the SMILES notation for 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium?
The canonical SMILES for 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium is CC[NH+]1CC[NH+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium?
The InChIKey is RZBTVJVBJOAOIW-UHFFFAOYSA-Q. The full InChI is InChI=1S/C19H31N3O/c1-3-20-12-14-22(15-13-20)18-8-10-21(11-9-18)16-17-4-6-19(23-2)7-5-17/h4-7,18H,3,8-16H2,1-2H3/p+3.
What are the key properties of 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium?
1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium has a molecular weight of 320.50 g/mol, XLogP of -1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium is sourced from PubChem (CID 7026518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).