4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine

C14H16Cl2N4 — CID 70970247

IUPAC4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESClc1ccc(C2(Cn3cncn3)CCNCC2)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c15-12-2-1-11(7-13(12)16)14(3-5-17-6-4-14)8-20-10-18-9-19-20/h1-2,7,9-10,17H,3-6,8H2
InChIKeyAXCANNIFVIWXRS-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.91
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine

4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 70970247) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID70970247
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESClc1ccc(C2(Cn3cncn3)CCNCC2)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c15-12-2-1-11(7-13(12)16)14(3-5-17-6-4-14)8-20-10-18-9-19-20/h1-2,7,9-10,17H,3-6,8H2
InChIKeyAXCANNIFVIWXRS-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 70970247) is 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is Clc1ccc(C2(Cn3cncn3)CCNCC2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is AXCANNIFVIWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c15-12-2-1-11(7-13(12)16)14(3-5-17-6-4-14)8-20-10-18-9-19-20/h1-2,7,9-10,17H,3-6,8H2.
What are the key properties of 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 311.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 70970247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).