2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

C20H32N4 — CID 120908299

IUPAC2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCN(c2ccccc2CN2CCC3(CCNC3)C2)CC1
InChIInChI=1S/C20H32N4/c1-2-22-11-13-24(14-12-22)19-6-4-3-5-18(19)15-23-10-8-20(17-23)7-9-21-16-20/h3-6,21H,2,7-17H2,1H3
InChIKeyCZLWEDKAACGTDE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.01
Rot. Bonds4

About 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908299) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908299
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCN(c2ccccc2CN2CCC3(CCNC3)C2)CC1
InChIInChI=1S/C20H32N4/c1-2-22-11-13-24(14-12-22)19-6-4-3-5-18(19)15-23-10-8-20(17-23)7-9-21-16-20/h3-6,21H,2,7-17H2,1H3
InChIKeyCZLWEDKAACGTDE-UHFFFAOYSA-N
XLogP2.01
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 56756882
(5R)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 95225199
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908299) is 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is CCN1CCN(c2ccccc2CN2CCC3(CCNC3)C2)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is CZLWEDKAACGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-2-22-11-13-24(14-12-22)19-6-4-3-5-18(19)15-23-10-8-20(17-23)7-9-21-16-20/h3-6,21H,2,7-17H2,1H3.
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 328.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).