8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane

C22H35N3O — CID 91175369

IUPAC8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
SMILESCOc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C22H35N3O/c1-26-21-7-3-2-6-20(21)25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)8-4-5-9-22/h2-3,6-7H,4-5,8-19H2,1H3
InChIKeyVWAWPKVMEMAUME-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.47
Rot. Bonds5

About 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane (PubChem CID 91175369) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
PubChem CID91175369
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
SMILESCOc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C22H35N3O/c1-26-21-7-3-2-6-20(21)25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)8-4-5-9-22/h2-3,6-7H,4-5,8-19H2,1H3
InChIKeyVWAWPKVMEMAUME-UHFFFAOYSA-N
XLogP3.47
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
CID 14280603
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
9-acetyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 11201573
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
CID 142573439
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane (CID 91175369) is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane is COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The InChIKey is VWAWPKVMEMAUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-26-21-7-3-2-6-20(21)25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)8-4-5-9-22/h2-3,6-7H,4-5,8-19H2,1H3.
What are the key properties of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane has a molecular weight of 357.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 91175369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).