1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine

C17H28N2O — CID 95480576

IUPAC1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
SMILESCC(C)(C)Oc1ccc(C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2O/c1-16(2,3)20-15-8-6-14(7-9-15)17(4,5)19-12-10-18-11-13-19/h6-9,18H,10-13H2,1-5H3
InChIKeyYPLXXHBBJGBXTB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.00
Rot. Bonds3

About 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine

1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine (PubChem CID 95480576) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
PubChem CID95480576
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
SMILESCC(C)(C)Oc1ccc(C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2O/c1-16(2,3)20-15-8-6-14(7-9-15)17(4,5)19-12-10-18-11-13-19/h6-9,18H,10-13H2,1-5H3
InChIKeyYPLXXHBBJGBXTB-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-propan-2-yloxyphenyl)propan-2-yl]piperazine
CID 82303005
1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
CID 82501523
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
CID 82298206
1,1,2,2-tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diol
CID 58750857
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171172767
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171167509

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine?
The IUPAC name of 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine (CID 95480576) is 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine?
The canonical SMILES for 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine is CC(C)(C)Oc1ccc(C(C)(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine?
The InChIKey is YPLXXHBBJGBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)20-15-8-6-14(7-9-15)17(4,5)19-12-10-18-11-13-19/h6-9,18H,10-13H2,1-5H3.
What are the key properties of 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine?
1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine is sourced from PubChem (CID 95480576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).