4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine

C9H16BrN5 — CID 107054238

IUPAC4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
SMILESCC1CN(Cc2nnn(C)n2)CCC1Br
InChIInChI=1S/C9H16BrN5/c1-7-5-15(4-3-8(7)10)6-9-11-13-14(2)12-9/h7-8H,3-6H2,1-2H3
InChIKeyYQGOHOAFCSZBSW-UHFFFAOYSA-N
MW274.17 g/mol
LogP0.82
Rot. Bonds2

About 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine

4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine (PubChem CID 107054238) has the molecular formula C9H16BrN5 and a molecular weight of 274.17 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
PubChem CID107054238
Molecular FormulaC9H16BrN5
Molecular Weight274.17 g/mol
Exact Mass273.06
IUPAC Name4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
SMILESCC1CN(Cc2nnn(C)n2)CCC1Br
InChIInChI=1S/C9H16BrN5/c1-7-5-15(4-3-8(7)10)6-9-11-13-14(2)12-9/h7-8H,3-6H2,1-2H3
InChIKeyYQGOHOAFCSZBSW-UHFFFAOYSA-N
XLogP0.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
4-bromo-3-methyl-1-[(2-methyltriazol-4-yl)methyl]piperidine
CID 130592187
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107055316
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine (CID 107054238) is 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine is CC1CN(Cc2nnn(C)n2)CCC1Br.
What is the InChIKey of 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine?
The InChIKey is YQGOHOAFCSZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5/c1-7-5-15(4-3-8(7)10)6-9-11-13-14(2)12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine?
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine has a molecular weight of 274.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 107054238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).