1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine

C24H32N2 — CID 44578885

IUPAC1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine
SMILESCc1ccc(N2CCN([C@@H](C)[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H32N2/c1-18-10-11-23(19(2)16-18)26-14-12-25(13-15-26)20(3)22-17-24(22,4)21-8-6-5-7-9-21/h5-11,16,20,22H,12-15,17H2,1-4H3/t20-,22+,24+/m0/s1
InChIKeyJUUPBTSCNSERAG-BGWNEDDSSA-N
MW348.53 g/mol
LogP4.79
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine

1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine (PubChem CID 44578885) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine
PubChem CID44578885
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine
SMILESCc1ccc(N2CCN([C@@H](C)[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H32N2/c1-18-10-11-23(19(2)16-18)26-14-12-25(13-15-26)20(3)22-17-24(22,4)21-8-6-5-7-9-21/h5-11,16,20,22H,12-15,17H2,1-4H3/t20-,22+,24+/m0/s1
InChIKeyJUUPBTSCNSERAG-BGWNEDDSSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine 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-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine (CID 44578885) is 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine is Cc1ccc(N2CCN([C@@H](C)[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine?
The InChIKey is JUUPBTSCNSERAG-BGWNEDDSSA-N. The full InChI is InChI=1S/C24H32N2/c1-18-10-11-23(19(2)16-18)26-14-12-25(13-15-26)20(3)22-17-24(22,4)21-8-6-5-7-9-21/h5-11,16,20,22H,12-15,17H2,1-4H3/t20-,22+,24+/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine?
1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine has a molecular weight of 348.53 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[(1S)-1-[(1S,2S)-2-methyl-2-phenylcyclopropyl]ethyl]piperazine is sourced from PubChem (CID 44578885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).