2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine

C17H29N3 — CID 114957678

IUPAC2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cnccc1C
InChIInChI=1S/C17H29N3/c1-5-16-11-19-17(6-2,7-3)13-20(16)12-15-10-18-9-8-14(15)4/h8-10,16,19H,5-7,11-13H2,1-4H3
InChIKeyBINBPMUEHQJOIS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.13
Rot. Bonds5

About 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine

2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 114957678) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
PubChem CID114957678
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cnccc1C
InChIInChI=1S/C17H29N3/c1-5-16-11-19-17(6-2,7-3)13-20(16)12-15-10-18-9-8-14(15)4/h8-10,16,19H,5-7,11-13H2,1-4H3
InChIKeyBINBPMUEHQJOIS-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine (CID 114957678) is 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine is CCC1CNC(CC)(CC)CN1Cc1cnccc1C.
What is the InChIKey of 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is BINBPMUEHQJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-16-11-19-17(6-2,7-3)13-20(16)12-15-10-18-9-8-14(15)4/h8-10,16,19H,5-7,11-13H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 114957678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).