3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine

C13H26N2 — CID 79351237

IUPAC3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
SMILESCC1CN(CC2C(C)(C)C2(C)C)CCN1
InChIInChI=1S/C13H26N2/c1-10-8-15(7-6-14-10)9-11-12(2,3)13(11,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyHTDAXRQIPVAWQF-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds2

About 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine

3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine (PubChem CID 79351237) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
PubChem CID79351237
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
SMILESCC1CN(CC2C(C)(C)C2(C)C)CCN1
InChIInChI=1S/C13H26N2/c1-10-8-15(7-6-14-10)9-11-12(2,3)13(11,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyHTDAXRQIPVAWQF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine (CID 79351237) is 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine is CC1CN(CC2C(C)(C)C2(C)C)CCN1.
What is the InChIKey of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The InChIKey is HTDAXRQIPVAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-8-15(7-6-14-10)9-11-12(2,3)13(11,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 79351237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).