4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine

C10H17BrN4 — CID 130592173

IUPAC4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine
SMILESCn1ncc(CN2CCC(CBr)CC2)n1
InChIInChI=1S/C10H17BrN4/c1-14-12-7-10(13-14)8-15-4-2-9(6-11)3-5-15/h7,9H,2-6,8H2,1H3
InChIKeyXQOBXXUFWWMSBD-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.42
Rot. Bonds3

About 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine

4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine (PubChem CID 130592173) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine
PubChem CID130592173
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine
SMILESCn1ncc(CN2CCC(CBr)CC2)n1
InChIInChI=1S/C10H17BrN4/c1-14-12-7-10(13-14)8-15-4-2-9(6-11)3-5-15/h7,9H,2-6,8H2,1H3
InChIKeyXQOBXXUFWWMSBD-UHFFFAOYSA-N
XLogP1.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-methyl-1-[(2-methyltriazol-4-yl)methyl]piperidine
CID 130592187
3-bromo-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
CID 130908934
2-[[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864868
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole
CID 130549879
1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
CID 126892020
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 80691588
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine
CID 146139101
5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 146139633
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine (CID 130592173) is 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine is Cn1ncc(CN2CCC(CBr)CC2)n1.
What is the InChIKey of 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is XQOBXXUFWWMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-14-12-7-10(13-14)8-15-4-2-9(6-11)3-5-15/h7,9H,2-6,8H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine?
4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 273.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 130592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).