4-[4-(3-methylphenyl)triazol-1-yl]piperidine

C14H18N4 — CID 21219151

IUPAC4-[4-(3-methylphenyl)triazol-1-yl]piperidine
SMILESCc1cccc(-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-12(9-11)14-10-18(17-16-14)13-5-7-15-8-6-13/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyRUNBLBJJNYDMTD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.18
Rot. Bonds2

About 4-[4-(3-methylphenyl)triazol-1-yl]piperidine

4-[4-(3-methylphenyl)triazol-1-yl]piperidine (PubChem CID 21219151) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)triazol-1-yl]piperidine
PubChem CID21219151
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[4-(3-methylphenyl)triazol-1-yl]piperidine
SMILESCc1cccc(-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-12(9-11)14-10-18(17-16-14)13-5-7-15-8-6-13/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyRUNBLBJJNYDMTD-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)triazol-1-yl]piperidine?
The IUPAC name of 4-[4-(3-methylphenyl)triazol-1-yl]piperidine (CID 21219151) is 4-[4-(3-methylphenyl)triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(3-methylphenyl)triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(3-methylphenyl)triazol-1-yl]piperidine is Cc1cccc(-c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)triazol-1-yl]piperidine?
The InChIKey is RUNBLBJJNYDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-3-2-4-12(9-11)14-10-18(17-16-14)13-5-7-15-8-6-13/h2-4,9-10,13,15H,5-8H2,1H3.
What are the key properties of 4-[4-(3-methylphenyl)triazol-1-yl]piperidine?
4-[4-(3-methylphenyl)triazol-1-yl]piperidine has a molecular weight of 242.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)triazol-1-yl]piperidine is sourced from PubChem (CID 21219151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).