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

C16H30N2+2 — CID 4677813

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium
SMILESC1CCC([NH+]2CC[NH+](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/p+2
InChIKeyDNNZFCPRPFOCHG-UHFFFAOYSA-P
MW250.43 g/mol
LogP-0.10
Rot. Bonds2

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

1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium (PubChem CID 4677813) has the molecular formula C16H30N2+2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium
PubChem CID4677813
Molecular FormulaC16H30N2+2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium
SMILESC1CCC([NH+]2CC[NH+](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/p+2
InChIKeyDNNZFCPRPFOCHG-UHFFFAOYSA-P
XLogP-0.10
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium (CID 4677813) is 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium is C1CCC([NH+]2CC[NH+](C3CC4CCC3C4)CC2)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium?
The InChIKey is DNNZFCPRPFOCHG-UHFFFAOYSA-P. 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/p+2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium?
1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium has a molecular weight of 250.43 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-cyclopentylpiperazine-1,4-diium is sourced from PubChem (CID 4677813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).