(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

C10H15BrN4O — CID 164663138

IUPAC(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn(C)nn2)CC1Br
InChIInChI=1S/C10H15BrN4O/c1-7-3-4-15(5-8(7)11)10(16)9-6-14(2)13-12-9/h6-8H,3-5H2,1-2H3
InChIKeyPNIKCCOMBFQLQO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.06
Rot. Bonds1

About (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (PubChem CID 164663138) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
PubChem CID164663138
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn(C)nn2)CC1Br
InChIInChI=1S/C10H15BrN4O/c1-7-3-4-15(5-8(7)11)10(16)9-6-14(2)13-12-9/h6-8H,3-5H2,1-2H3
InChIKeyPNIKCCOMBFQLQO-UHFFFAOYSA-N
XLogP1.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.06
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

[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110471567
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
(3-bromo-4-methylpiperidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 102962420

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (CID 164663138) is (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is CC1CCN(C(=O)c2cn(C)nn2)CC1Br.
What is the InChIKey of (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is PNIKCCOMBFQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-7-3-4-15(5-8(7)11)10(16)9-6-14(2)13-12-9/h6-8H,3-5H2,1-2H3.
What are the key properties of (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 287.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 164663138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).