1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine

C15H22BrN3 — CID 104812420

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(Br)cn2)C(C2CC2)CN1
InChIInChI=1S/C15H22BrN3/c1-15(2)10-19(14(8-18-15)11-3-4-11)9-13-6-5-12(16)7-17-13/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyGFICYVBKFCKRSI-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.81
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine

1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine (PubChem CID 104812420) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
PubChem CID104812420
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(Br)cn2)C(C2CC2)CN1
InChIInChI=1S/C15H22BrN3/c1-15(2)10-19(14(8-18-15)11-3-4-11)9-13-6-5-12(16)7-17-13/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyGFICYVBKFCKRSI-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
1-[(2-bromo-5-methoxyphenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 65331384
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510
5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
CID 115666639
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 115666089
1-[2-(2-cyclopropyl-5,5-dimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907135
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102785132
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine (CID 104812420) is 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine is CC1(C)CN(Cc2ccc(Br)cn2)C(C2CC2)CN1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The InChIKey is GFICYVBKFCKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-15(2)10-19(14(8-18-15)11-3-4-11)9-13-6-5-12(16)7-17-13/h5-7,11,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine has a molecular weight of 324.27 g/mol, XLogP of 2.81, 3 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]-2-cyclopropyl-5,5-dimethylpiperazine is sourced from PubChem (CID 104812420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).