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

C17H28N2O — CID 95480577

IUPAC1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
SMILESCC[C@@H](c1ccc(OC(C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-16(19-12-10-18-11-13-19)14-6-8-15(9-7-14)20-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3/t16-/m0/s1
InChIKeyCCXSEJCVOMPJOQ-INIZCTEOSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds4

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

1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine (PubChem CID 95480577) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
PubChem CID95480577
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
SMILESCC[C@@H](c1ccc(OC(C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-16(19-12-10-18-11-13-19)14-6-8-15(9-7-14)20-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3/t16-/m0/s1
InChIKeyCCXSEJCVOMPJOQ-INIZCTEOSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171172767
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171167509
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768
1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The IUPAC name of 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine (CID 95480577) is 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine is CC[C@@H](c1ccc(OC(C)(C)C)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The InChIKey is CCXSEJCVOMPJOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-16(19-12-10-18-11-13-19)14-6-8-15(9-7-14)20-17(2,3)4/h6-9,16,18H,5,10-13H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine is sourced from PubChem (CID 95480577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).