7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane

C20H39N3O — CID 175636242

IUPAC7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane
SMILESCCN1CCN(CCN2CCC3(CC2)CC(COC(C)C)C3)CC1
InChIInChI=1S/C20H39N3O/c1-4-21-9-11-23(12-10-21)14-13-22-7-5-20(6-8-22)15-19(16-20)17-24-18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyQODYPWWBWDGWQA-UHFFFAOYSA-N
MW337.55 g/mol
LogP2.54
Rot. Bonds7

About 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane

7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane (PubChem CID 175636242) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane
PubChem CID175636242
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane
SMILESCCN1CCN(CCN2CCC3(CC2)CC(COC(C)C)C3)CC1
InChIInChI=1S/C20H39N3O/c1-4-21-9-11-23(12-10-21)14-13-22-7-5-20(6-8-22)15-19(16-20)17-24-18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyQODYPWWBWDGWQA-UHFFFAOYSA-N
XLogP2.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

1-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
CID 70306640
4-(3,3-Dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine
CID 134232971
1-Methyl-4-[3,3,6,6-tetramethyl-7-(oxan-2-yl)heptyl]piperazine
CID 134515047
1-Tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]piperazine
CID 135165060
1-[2-[3-[(2-Methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine
CID 135167806
1-[(2S,4R)-2,4-dimethyloxan-4-yl]-4-(3-methylbutyl)piperazine
CID 139368754
1-[(2S,4S)-4-ethyl-2-methyloxan-4-yl]-4-(3-methylbutyl)piperazine
CID 139368799
1-[(2S,4R)-4-ethyl-2-methyloxan-4-yl]-4-(3-methylbutyl)piperazine
CID 139368802
1-[(2S,4S)-2,4-dimethyloxan-4-yl]-4-(3-methylbutyl)piperazine
CID 139368880
1-[[3-[4-(2-Methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine
CID 139545908
4-Butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine
CID 143876376
4-Butoxy-1-methylpiperidine;4-(3-methoxypropyl)-1-methylpiperidine
CID 143876483

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane (CID 175636242) is 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane is CCN1CCN(CCN2CCC3(CC2)CC(COC(C)C)C3)CC1.
What is the InChIKey of 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane?
The InChIKey is QODYPWWBWDGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-4-21-9-11-23(12-10-21)14-13-22-7-5-20(6-8-22)15-19(16-20)17-24-18(2)3/h18-19H,4-17H2,1-3H3.
What are the key properties of 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane?
7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane has a molecular weight of 337.55 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 175636242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).