1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine

C17H26BrN3 — CID 104812552

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1cncc(Br)c1
InChIInChI=1S/C17H26BrN3/c1-3-4-16-10-20-17(2,14-5-6-14)12-21(16)11-13-7-15(18)9-19-8-13/h7-9,14,16,20H,3-6,10-12H2,1-2H3
InChIKeyPHBQJBRJWMLZCA-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.59
Rot. Bonds5

About 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine

1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine (PubChem CID 104812552) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
PubChem CID104812552
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1cncc(Br)c1
InChIInChI=1S/C17H26BrN3/c1-3-4-16-10-20-17(2,14-5-6-14)12-21(16)11-13-7-15(18)9-19-8-13/h7-9,14,16,20H,3-6,10-12H2,1-2H3
InChIKeyPHBQJBRJWMLZCA-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine (CID 104812552) is 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(C2CC2)CN1Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The InChIKey is PHBQJBRJWMLZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-3-4-16-10-20-17(2,14-5-6-14)12-21(16)11-13-7-15(18)9-19-8-13/h7-9,14,16,20H,3-6,10-12H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine has a molecular weight of 352.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 104812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).