1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine

C18H27BrN2 — CID 64877485

IUPAC1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyYFFIGCNFOMNBRS-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.05
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine

1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64877485) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64877485
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyYFFIGCNFOMNBRS-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
1-[(2-bromophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64872279
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64933548
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837940
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940605
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64934370

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine (CID 64877485) is 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is YFFIGCNFOMNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 351.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64877485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).