2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine

C27H33N3 — CID 54443262

IUPAC2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine
SMILESNCCN1CCNC(Cc2ccccc2)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N3/c28-16-18-30-19-17-29-26(20-23-10-4-1-5-11-23)27(30,21-24-12-6-2-7-13-24)22-25-14-8-3-9-15-25/h1-15,26,29H,16-22,28H2
InChIKeyWPQHKTCKEWOQGQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.69
Rot. Bonds8

About 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine

2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine (PubChem CID 54443262) has the molecular formula C27H33N3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine
PubChem CID54443262
Molecular FormulaC27H33N3
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine
SMILESNCCN1CCNC(Cc2ccccc2)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N3/c28-16-18-30-19-17-29-26(20-23-10-4-1-5-11-23)27(30,21-24-12-6-2-7-13-24)22-25-14-8-3-9-15-25/h1-15,26,29H,16-22,28H2
InChIKeyWPQHKTCKEWOQGQ-UHFFFAOYSA-N
XLogP3.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine (CID 54443262) is 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine is NCCN1CCNC(Cc2ccccc2)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine?
The InChIKey is WPQHKTCKEWOQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3/c28-16-18-30-19-17-29-26(20-23-10-4-1-5-11-23)27(30,21-24-12-6-2-7-13-24)22-25-14-8-3-9-15-25/h1-15,26,29H,16-22,28H2.
What are the key properties of 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine?
2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine has a molecular weight of 399.58 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-tribenzylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 54443262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).