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

C14H22BrN3 — CID 104812364

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cn2)C(C)CN1
InChIInChI=1S/C14H22BrN3/c1-3-4-13-9-18(11(2)7-16-13)10-14-6-5-12(15)8-17-14/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyKWNVHXDWLZZIBM-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds4

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

1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 104812364) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID104812364
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cn2)C(C)CN1
InChIInChI=1S/C14H22BrN3/c1-3-4-13-9-18(11(2)7-16-13)10-14-6-5-12(15)8-17-14/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyKWNVHXDWLZZIBM-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
CID 115666639
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 64947937
1-[(5-bromo-2-pyridinyl)methyl]-3-tert-butyl-7-methyl-1,4-diazepane
CID 104812657
2-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64941741
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
2-cyclopropyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64838011
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine (CID 104812364) is 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2ccc(Br)cn2)C(C)CN1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is KWNVHXDWLZZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-4-13-9-18(11(2)7-16-13)10-14-6-5-12(15)8-17-14/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 312.25 g/mol, XLogP of 2.81, 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]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 104812364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).