2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane

C22H35N3 — CID 150120480

IUPAC2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)c1ccccc1C1CN(C)CCN1C1CC2(CCNCC2)C1
InChIInChI=1S/C22H35N3/c1-17(2)19-6-4-5-7-20(19)21-16-24(3)12-13-25(21)18-14-22(15-18)8-10-23-11-9-22/h4-7,17-18,21,23H,8-16H2,1-3H3
InChIKeyDZDOGLMLEZNJLY-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane

2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane (PubChem CID 150120480) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
PubChem CID150120480
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)c1ccccc1C1CN(C)CCN1C1CC2(CCNCC2)C1
InChIInChI=1S/C22H35N3/c1-17(2)19-6-4-5-7-20(19)21-16-24(3)12-13-25(21)18-14-22(15-18)8-10-23-11-9-22/h4-7,17-18,21,23H,8-16H2,1-3H3
InChIKeyDZDOGLMLEZNJLY-UHFFFAOYSA-N
XLogP3.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane (CID 150120480) is 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane is CC(C)c1ccccc1C1CN(C)CCN1C1CC2(CCNCC2)C1.
What is the InChIKey of 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The InChIKey is DZDOGLMLEZNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3/c1-17(2)19-6-4-5-7-20(19)21-16-24(3)12-13-25(21)18-14-22(15-18)8-10-23-11-9-22/h4-7,17-18,21,23H,8-16H2,1-3H3.
What are the key properties of 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane has a molecular weight of 341.54 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 150120480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).