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

C16H28N2 — CID 742687

IUPAC1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine
SMILESC1CCC(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)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/t13-,14+,16+/m0/s1
InChIKeyDNNZFCPRPFOCHG-SQWLQELKSA-N
MW248.41 g/mol
LogP2.74
Rot. Bonds2

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

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine (PubChem CID 742687) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine
PubChem CID742687
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine
SMILESC1CCC(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)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/t13-,14+,16+/m0/s1
InChIKeyDNNZFCPRPFOCHG-SQWLQELKSA-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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine (CID 742687) is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine is C1CCC(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)C1.
What is the InChIKey of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine?
The InChIKey is DNNZFCPRPFOCHG-SQWLQELKSA-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/t13-,14+,16+/m0/s1.
What are the key properties of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine?
1-[(1R,2R,4S)-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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 742687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).