(3,3,5,5-tetramethylpiperazin-1-yl) benzoate

C15H22N2O2 — CID 18629568

IUPAC(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
SMILESCC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C15H22N2O2/c1-14(2)10-17(11-15(3,4)16-14)19-13(18)12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3
InChIKeyPNOGTWVUTHSUDY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.22
Rot. Bonds2

About (3,3,5,5-tetramethylpiperazin-1-yl) benzoate

(3,3,5,5-tetramethylpiperazin-1-yl) benzoate (PubChem CID 18629568) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3,3,5,5-tetramethylpiperazin-1-yl) benzoate.

Molecular Properties

Compound Name(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
PubChem CID18629568
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
SMILESCC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C15H22N2O2/c1-14(2)10-17(11-15(3,4)16-14)19-13(18)12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3
InChIKeyPNOGTWVUTHSUDY-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The IUPAC name of (3,3,5,5-tetramethylpiperazin-1-yl) benzoate (CID 18629568) is (3,3,5,5-tetramethylpiperazin-1-yl) benzoate.
What is the SMILES notation for (3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The canonical SMILES for (3,3,5,5-tetramethylpiperazin-1-yl) benzoate is CC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of (3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The InChIKey is PNOGTWVUTHSUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)10-17(11-15(3,4)16-14)19-13(18)12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3.
What are the key properties of (3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5,5-tetramethylpiperazin-1-yl) benzoate is sourced from PubChem (CID 18629568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).