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

C10H17ClN4 — CID 107053958

IUPAC2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCCC2CCl)nn1
InChIInChI=1S/C10H17ClN4/c1-14-7-9(12-13-14)8-15-5-3-2-4-10(15)6-11/h7,10H,2-6,8H2,1H3
InChIKeyGRONHJNMSWOJHN-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.41
Rot. Bonds3

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

2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine (PubChem CID 107053958) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
PubChem CID107053958
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCCC2CCl)nn1
InChIInChI=1S/C10H17ClN4/c1-14-7-9(12-13-14)8-15-5-3-2-4-10(15)6-11/h7,10H,2-6,8H2,1H3
InChIKeyGRONHJNMSWOJHN-UHFFFAOYSA-N
XLogP1.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.41
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

1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 131111205
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
2-(chloromethyl)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane
CID 116638656
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 95719321
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine (CID 107053958) is 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine is Cn1cc(CN2CCCCC2CCl)nn1.
What is the InChIKey of 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is GRONHJNMSWOJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-14-7-9(12-13-14)8-15-5-3-2-4-10(15)6-11/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine?
2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 228.73 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 107053958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).