1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide

C22H29BrN2 — CID 18613655

IUPAC1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
SMILESBr.Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2.BrH/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19;/h3-9,14,20-21H,10-13,15-16H2,1-2H3;1H
InChIKeyLIGKFDFMSKBNRX-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.81
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide

1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide (PubChem CID 18613655) has the molecular formula C22H29BrN2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
PubChem CID18613655
Molecular FormulaC22H29BrN2
Molecular Weight401.39 g/mol
Exact Mass400.15
IUPAC Name1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
SMILESBr.Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2.BrH/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19;/h3-9,14,20-21H,10-13,15-16H2,1-2H3;1H
InChIKeyLIGKFDFMSKBNRX-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide (CID 18613655) is 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide is Br.Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The InChIKey is LIGKFDFMSKBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2.BrH/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19;/h3-9,14,20-21H,10-13,15-16H2,1-2H3;1H.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
1-(2,4-dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide has a molecular weight of 401.39 g/mol, XLogP of 4.81, 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-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide is sourced from PubChem (CID 18613655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).