1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine

C16H26N2O — CID 117411194

IUPAC1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
SMILESCOC(C)(C)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,19-3)15-6-4-14(5-7-15)8-11-18-12-9-17-10-13-18/h4-7,17H,8-13H2,1-3H3
InChIKeySCXMFVLYVPIWJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine

1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine (PubChem CID 117411194) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
PubChem CID117411194
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
SMILESCOC(C)(C)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,19-3)15-6-4-14(5-7-15)8-11-18-12-9-17-10-13-18/h4-7,17H,8-13H2,1-3H3
InChIKeySCXMFVLYVPIWJD-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
1-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepane
CID 82090319
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
1-[2-(4-methylphenyl)ethyl]-1,4-diazepane
CID 82079414
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine (CID 117411194) is 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine is COC(C)(C)c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine?
The InChIKey is SCXMFVLYVPIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,19-3)15-6-4-14(5-7-15)8-11-18-12-9-17-10-13-18/h4-7,17H,8-13H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine?
1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117411194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).