4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine

C17H24N4 — CID 62710402

IUPAC4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine
SMILESCC(C)Cn1cnnc1C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H24N4/c1-14(2)12-21-13-19-20-16(21)17(8-10-18-11-9-17)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3
InChIKeyMGWFVRZMQRDJOU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.60
Rot. Bonds4

About 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine (PubChem CID 62710402) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine
PubChem CID62710402
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine
SMILESCC(C)Cn1cnnc1C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H24N4/c1-14(2)12-21-13-19-20-16(21)17(8-10-18-11-9-17)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3
InChIKeyMGWFVRZMQRDJOU-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine?
The IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine (CID 62710402) is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine is CC(C)Cn1cnnc1C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine?
The InChIKey is MGWFVRZMQRDJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(2)12-21-13-19-20-16(21)17(8-10-18-11-9-17)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine?
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine has a molecular weight of 284.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine is sourced from PubChem (CID 62710402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).