1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine

C19H28N2 — CID 64918287

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
SMILESCC(C1CC2CCC1C2)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C19H28N2/c1-14(18-12-15-7-8-17(18)11-15)21-10-9-20-19(13-21)16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13H2,1H3
InChIKeyOCCSOUBBYLLTQM-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.46
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine (PubChem CID 64918287) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
PubChem CID64918287
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
SMILESCC(C1CC2CCC1C2)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C19H28N2/c1-14(18-12-15-7-8-17(18)11-15)21-10-9-20-19(13-21)16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13H2,1H3
InChIKeyOCCSOUBBYLLTQM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine (CID 64918287) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine is CC(C1CC2CCC1C2)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine?
The InChIKey is OCCSOUBBYLLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(18-12-15-7-8-17(18)11-15)21-10-9-20-19(13-21)16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine has a molecular weight of 284.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine is sourced from PubChem (CID 64918287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).