1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine

C19H28N4 — CID 154929621

IUPAC1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCn1nc(CN2CCCCC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4/c1-19(2,3)16-10-8-15(9-11-16)18-20-17(21-22(18)4)14-23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeySSSRNHWPMBAGIQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.77
Rot. Bonds3

About 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine

1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 154929621) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID154929621
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCn1nc(CN2CCCCC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4/c1-19(2,3)16-10-8-15(9-11-16)18-20-17(21-22(18)4)14-23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeySSSRNHWPMBAGIQ-UHFFFAOYSA-N
XLogP3.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine (CID 154929621) is 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine is Cn1nc(CN2CCCCC2)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is SSSRNHWPMBAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-19(2,3)16-10-8-15(9-11-16)18-20-17(21-22(18)4)14-23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine?
1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 312.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 154929621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).