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

C21H32ClN3 — CID 11394353

IUPAC8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
SMILESClc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C21H32ClN3/c22-19-5-1-2-6-20(19)25-17-15-24(16-18-25)14-13-23-11-9-21(10-12-23)7-3-4-8-21/h1-2,5-6H,3-4,7-18H2
InChIKeyRYACWLKZCHVEBC-UHFFFAOYSA-N
MW361.96 g/mol
LogP4.12
Rot. Bonds4

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

8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane (PubChem CID 11394353) has the molecular formula C21H32ClN3 and a molecular weight of 361.96 g/mol. Its IUPAC name is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
PubChem CID11394353
Molecular FormulaC21H32ClN3
Molecular Weight361.96 g/mol
Exact Mass361.23
IUPAC Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
SMILESClc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C21H32ClN3/c22-19-5-1-2-6-20(19)25-17-15-24(16-18-25)14-13-23-11-9-21(10-12-23)7-3-4-8-21/h1-2,5-6H,3-4,7-18H2
InChIKeyRYACWLKZCHVEBC-UHFFFAOYSA-N
XLogP4.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane (CID 11394353) is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane is Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
The InChIKey is RYACWLKZCHVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3/c22-19-5-1-2-6-20(19)25-17-15-24(16-18-25)14-13-23-11-9-21(10-12-23)7-3-4-8-21/h1-2,5-6H,3-4,7-18H2.
What are the key properties of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane?
8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane has a molecular weight of 361.96 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 11394353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).