2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine

C19H33N3 — CID 177108408

IUPAC2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine
SMILESCC(C)c1ccccc1C1CN(CCN)CCN1C(C)(C)C
InChIInChI=1S/C19H33N3/c1-15(2)16-8-6-7-9-17(16)18-14-21(11-10-20)12-13-22(18)19(3,4)5/h6-9,15,18H,10-14,20H2,1-5H3
InChIKeyOADVJMNDAABMDJ-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine

2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine (PubChem CID 177108408) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine
PubChem CID177108408
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine
SMILESCC(C)c1ccccc1C1CN(CCN)CCN1C(C)(C)C
InChIInChI=1S/C19H33N3/c1-15(2)16-8-6-7-9-17(16)18-14-21(11-10-20)12-13-22(18)19(3,4)5/h6-9,15,18H,10-14,20H2,1-5H3
InChIKeyOADVJMNDAABMDJ-UHFFFAOYSA-N
XLogP3.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine (CID 177108408) is 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine is CC(C)c1ccccc1C1CN(CCN)CCN1C(C)(C)C.
What is the InChIKey of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine?
The InChIKey is OADVJMNDAABMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-15(2)16-8-6-7-9-17(16)18-14-21(11-10-20)12-13-22(18)19(3,4)5/h6-9,15,18H,10-14,20H2,1-5H3.
What are the key properties of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine?
2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine has a molecular weight of 303.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 177108408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).