2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine

C16H27N3 — CID 82302464

IUPAC2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCc1cc(C)c(C)c(C(N)CN2CCNCC2)c1C
InChIInChI=1S/C16H27N3/c1-11-9-12(2)14(4)16(13(11)3)15(17)10-19-7-5-18-6-8-19/h9,15,18H,5-8,10,17H2,1-4H3
InChIKeyHNMFQQCDQNBDFO-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.83
Rot. Bonds3

About 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine

2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine (PubChem CID 82302464) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
PubChem CID82302464
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCc1cc(C)c(C)c(C(N)CN2CCNCC2)c1C
InChIInChI=1S/C16H27N3/c1-11-9-12(2)14(4)16(13(11)3)15(17)10-19-7-5-18-6-8-19/h9,15,18H,5-8,10,17H2,1-4H3
InChIKeyHNMFQQCDQNBDFO-UHFFFAOYSA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine (CID 82302464) is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine.
What is the SMILES notation for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The canonical SMILES for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine is Cc1cc(C)c(C)c(C(N)CN2CCNCC2)c1C.
What is the InChIKey of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The InChIKey is HNMFQQCDQNBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-9-12(2)14(4)16(13(11)3)15(17)10-19-7-5-18-6-8-19/h9,15,18H,5-8,10,17H2,1-4H3.
What are the key properties of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine is sourced from PubChem (CID 82302464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).