[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C11H16ClN3O — CID 103122367

IUPAC[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCCC2CCl)n1
InChIInChI=1S/C11H16ClN3O/c1-14-7-5-10(13-14)11(16)15-6-3-2-4-9(15)8-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeySOCXDXPFOINXJB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103122367) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103122367
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCCC2CCl)n1
InChIInChI=1S/C11H16ClN3O/c1-14-7-5-10(13-14)11(16)15-6-3-2-4-9(15)8-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeySOCXDXPFOINXJB-UHFFFAOYSA-N
XLogP1.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[2-(chloromethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63395147
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512063
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 103122367) is [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCCC2CCl)n1.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is SOCXDXPFOINXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14-7-5-10(13-14)11(16)15-6-3-2-4-9(15)8-12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103122367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).