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

C25H41N3 — CID 166799845

IUPAC2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCCCCN1CCN(C2CC3(CCNCC3)C2)C(c2ccccc2C(C)C)C1
InChIInChI=1S/C25H41N3/c1-4-5-14-27-15-16-28(21-17-25(18-21)10-12-26-13-11-25)24(19-27)23-9-7-6-8-22(23)20(2)3/h6-9,20-21,24,26H,4-5,10-19H2,1-3H3
InChIKeyWSAHMDDSTQFKGM-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.80
Rot. Bonds6

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

2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane (PubChem CID 166799845) has the molecular formula C25H41N3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
PubChem CID166799845
Molecular FormulaC25H41N3
Molecular Weight383.62 g/mol
Exact Mass383.33
IUPAC Name2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCCCCN1CCN(C2CC3(CCNCC3)C2)C(c2ccccc2C(C)C)C1
InChIInChI=1S/C25H41N3/c1-4-5-14-27-15-16-28(21-17-25(18-21)10-12-26-13-11-25)24(19-27)23-9-7-6-8-22(23)20(2)3/h6-9,20-21,24,26H,4-5,10-19H2,1-3H3
InChIKeyWSAHMDDSTQFKGM-UHFFFAOYSA-N
XLogP4.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane (CID 166799845) is 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane is CCCCN1CCN(C2CC3(CCNCC3)C2)C(c2ccccc2C(C)C)C1.
What is the InChIKey of 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
The InChIKey is WSAHMDDSTQFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3/c1-4-5-14-27-15-16-28(21-17-25(18-21)10-12-26-13-11-25)24(19-27)23-9-7-6-8-22(23)20(2)3/h6-9,20-21,24,26H,4-5,10-19H2,1-3H3.
What are the key properties of 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane?
2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane has a molecular weight of 383.62 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butyl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166799845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).