1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine

C16H30N2 — CID 122645242

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-16(2,3)12-17-6-8-18(9-7-17)15-11-13-4-5-14(15)10-13/h13-15H,4-12H2,1-3H3
InChIKeyOBNXVUCHCHOHAO-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.84
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine (PubChem CID 122645242) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine
PubChem CID122645242
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-16(2,3)12-17-6-8-18(9-7-17)15-11-13-4-5-14(15)10-13/h13-15H,4-12H2,1-3H3
InChIKeyOBNXVUCHCHOHAO-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine (CID 122645242) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine is CC(C)(C)CN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine?
The InChIKey is OBNXVUCHCHOHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2,3)12-17-6-8-18(9-7-17)15-11-13-4-5-14(15)10-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine has a molecular weight of 250.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine is sourced from PubChem (CID 122645242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).