(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine

C23H34N2 — CID 23641162

IUPAC(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine
SMILESc1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H34N2/c1-2-4-18(5-3-1)13-22-17-24-7-9-25(22)8-6-23-14-19-10-20(15-23)12-21(11-19)16-23/h1-5,19-22,24H,6-17H2/t19?,20?,21?,22-,23?/m0/s1
InChIKeyHWAVRYVDKATCPW-FKYPEVOHSA-N
MW338.54 g/mol
LogP4.11
Rot. Bonds5

About (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine

(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine (PubChem CID 23641162) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine.

Molecular Properties

Compound Name(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine
PubChem CID23641162
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine
SMILESc1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H34N2/c1-2-4-18(5-3-1)13-22-17-24-7-9-25(22)8-6-23-14-19-10-20(15-23)12-21(11-19)16-23/h1-5,19-22,24H,6-17H2/t19?,20?,21?,22-,23?/m0/s1
InChIKeyHWAVRYVDKATCPW-FKYPEVOHSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine 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 (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine?
The IUPAC name of (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine (CID 23641162) is (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine.
What is the SMILES notation for (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine?
The canonical SMILES for (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine is c1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine?
The InChIKey is HWAVRYVDKATCPW-FKYPEVOHSA-N. The full InChI is InChI=1S/C23H34N2/c1-2-4-18(5-3-1)13-22-17-24-7-9-25(22)8-6-23-14-19-10-20(15-23)12-21(11-19)16-23/h1-5,19-22,24H,6-17H2/t19?,20?,21?,22-,23?/m0/s1.
What are the key properties of (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine?
(2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine has a molecular weight of 338.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1-adamantyl)ethyl]-2-benzylpiperazine is sourced from PubChem (CID 23641162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).