1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine

C18H30N2O — CID 82255612

IUPAC1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(C(C)(C)C)cc1CC(C)N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-14(20-10-8-19-9-11-20)12-15-13-16(18(2,3)4)6-7-17(15)21-5/h6-7,13-14,19H,8-12H2,1-5H3
InChIKeySWCMTXCCJRTIEY-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.83
Rot. Bonds4

About 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine

1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine (PubChem CID 82255612) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
PubChem CID82255612
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(C(C)(C)C)cc1CC(C)N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-14(20-10-8-19-9-11-20)12-15-13-16(18(2,3)4)6-7-17(15)21-5/h6-7,13-14,19H,8-12H2,1-5H3
InChIKeySWCMTXCCJRTIEY-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302972
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82289927
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine (CID 82255612) is 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine is COc1ccc(C(C)(C)C)cc1CC(C)N1CCNCC1.
What is the InChIKey of 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine?
The InChIKey is SWCMTXCCJRTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(20-10-8-19-9-11-20)12-15-13-16(18(2,3)4)6-7-17(15)21-5/h6-7,13-14,19H,8-12H2,1-5H3.
What are the key properties of 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine?
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82255612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).