1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

C17H25BrN2 — CID 64838844

IUPAC1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cccc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C17H25BrN2/c1-12(2)16-11-20(17(9-19-16)14-6-7-14)10-13-4-3-5-15(18)8-13/h3-5,8,12,14,16-17,19H,6-7,9-11H2,1-2H3
InChIKeyKUMNJMDEGXJXNL-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.66
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (PubChem CID 64838844) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
PubChem CID64838844
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cccc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C17H25BrN2/c1-12(2)16-11-20(17(9-19-16)14-6-7-14)10-13-4-3-5-15(18)8-13/h3-5,8,12,14,16-17,19H,6-7,9-11H2,1-2H3
InChIKeyKUMNJMDEGXJXNL-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (CID 64838844) is 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2cccc(Br)c2)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The InChIKey is KUMNJMDEGXJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-12(2)16-11-20(17(9-19-16)14-6-7-14)10-13-4-3-5-15(18)8-13/h3-5,8,12,14,16-17,19H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine has a molecular weight of 337.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).