1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine

C16H28N2 — CID 2881230

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine
SMILESC1CCC(N2CCN(C3CC4CCC3C4)CC2)C1
InChIInChI=1S/C16H28N2/c1-2-4-15(3-1)17-7-9-18(10-8-17)16-12-13-5-6-14(16)11-13/h13-16H,1-12H2
InChIKeyDNNZFCPRPFOCHG-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine (PubChem CID 2881230) 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)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine
PubChem CID2881230
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine
SMILESC1CCC(N2CCN(C3CC4CCC3C4)CC2)C1
InChIInChI=1S/C16H28N2/c1-2-4-15(3-1)17-7-9-18(10-8-17)16-12-13-5-6-14(16)11-13/h13-16H,1-12H2
InChIKeyDNNZFCPRPFOCHG-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.74
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-cyclopentylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine (CID 2881230) is 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine is C1CCC(N2CCN(C3CC4CCC3C4)CC2)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine?
The InChIKey is DNNZFCPRPFOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-4-15(3-1)17-7-9-18(10-8-17)16-12-13-5-6-14(16)11-13/h13-16H,1-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.74, 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-cyclopentylpiperazine is sourced from PubChem (CID 2881230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).