3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine

C11H18ClN3 — CID 82870499

IUPAC3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(CN2CCCC(CCl)C2)n1
InChIInChI=1S/C11H18ClN3/c1-14-6-4-11(13-14)9-15-5-2-3-10(7-12)8-15/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyWMJWJGINAIZLIJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.87
Rot. Bonds3

About 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine

3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 82870499) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
PubChem CID82870499
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(CN2CCCC(CCl)C2)n1
InChIInChI=1S/C11H18ClN3/c1-14-6-4-11(13-14)9-15-5-2-3-10(7-12)8-15/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyWMJWJGINAIZLIJ-UHFFFAOYSA-N
XLogP1.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.87
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-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(2-chloroethyl)piperidine
CID 64778789
3-[[3-(chloromethyl)-2-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130979357
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine (CID 82870499) is 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine is Cn1ccc(CN2CCCC(CCl)C2)n1.
What is the InChIKey of 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is WMJWJGINAIZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-14-6-4-11(13-14)9-15-5-2-3-10(7-12)8-15/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 227.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 82870499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).