1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine

C16H24BrN3 — CID 104812551

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1Cc1ccc(Br)cn1
InChIInChI=1S/C16H24BrN3/c1-3-15-9-19-16(2,12-4-5-12)11-20(15)10-14-7-6-13(17)8-18-14/h6-8,12,15,19H,3-5,9-11H2,1-2H3
InChIKeyBGJWDRKMGSEENI-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.20
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine

1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine (PubChem CID 104812551) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
PubChem CID104812551
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1Cc1ccc(Br)cn1
InChIInChI=1S/C16H24BrN3/c1-3-15-9-19-16(2,12-4-5-12)11-20(15)10-14-7-6-13(17)8-18-14/h6-8,12,15,19H,3-5,9-11H2,1-2H3
InChIKeyBGJWDRKMGSEENI-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64875773
2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64948017
1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 104812420
5-cyclopropyl-2-ethyl-5-methyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64935480
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
CID 64877133
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64876536
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
CID 104812364
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64875953
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine (CID 104812551) is 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The InChIKey is BGJWDRKMGSEENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-3-15-9-19-16(2,12-4-5-12)11-20(15)10-14-7-6-13(17)8-18-14/h6-8,12,15,19H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine has a molecular weight of 338.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 104812551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).