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

C10H17ClN4 — CID 131111205

IUPAC3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCC1C(Cl)CCCN1Cc1cn(C)nn1
InChIInChI=1S/C10H17ClN4/c1-8-10(11)4-3-5-15(8)7-9-6-14(2)13-12-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyHEAHHMKWVNVPJD-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.41
Rot. Bonds2

About 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine

3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine (PubChem CID 131111205) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
PubChem CID131111205
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCC1C(Cl)CCCN1Cc1cn(C)nn1
InChIInChI=1S/C10H17ClN4/c1-8-10(11)4-3-5-15(8)7-9-6-14(2)13-12-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyHEAHHMKWVNVPJD-UHFFFAOYSA-N
XLogP1.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine (CID 131111205) is 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine is CC1C(Cl)CCCN1Cc1cn(C)nn1.
What is the InChIKey of 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is HEAHHMKWVNVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8-10(11)4-3-5-15(8)7-9-6-14(2)13-12-9/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine?
3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 228.73 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 131111205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).