1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine

C16H28N2 — CID 114246764

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(C2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C16H28N2/c1-16(2)10-18(15(9-17-16)12-5-6-12)14-8-11-3-4-13(14)7-11/h11-15,17H,3-10H2,1-2H3
InChIKeyNEUNWCVMYKLGAU-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine (PubChem CID 114246764) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine
PubChem CID114246764
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(C2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C16H28N2/c1-16(2)10-18(15(9-17-16)12-5-6-12)14-8-11-3-4-13(14)7-11/h11-15,17H,3-10H2,1-2H3
InChIKeyNEUNWCVMYKLGAU-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine (CID 114246764) is 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine is CC1(C)CN(C2CC3CCC2C3)C(C2CC2)CN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine?
The InChIKey is NEUNWCVMYKLGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2)10-18(15(9-17-16)12-5-6-12)14-8-11-3-4-13(14)7-11/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5,5-dimethylpiperazine is sourced from PubChem (CID 114246764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).