3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine

C16H28N4O2 — CID 75520621

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1c(C)nnc1CN1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C16H28N4O2/c1-4-7-20-13(2)17-18-15(20)12-19-8-5-6-14(11-19)16(3)21-9-10-22-16/h14H,4-12H2,1-3H3
InChIKeyGKGHRUGLSFVRAO-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.97
Rot. Bonds5

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

3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 75520621) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID75520621
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1c(C)nnc1CN1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C16H28N4O2/c1-4-7-20-13(2)17-18-15(20)12-19-8-5-6-14(11-19)16(3)21-9-10-22-16/h14H,4-12H2,1-3H3
InChIKeyGKGHRUGLSFVRAO-UHFFFAOYSA-N
XLogP1.97
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 75520621) is 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1c(C)nnc1CN1CCCC(C2(C)OCCO2)C1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is GKGHRUGLSFVRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-7-20-13(2)17-18-15(20)12-19-8-5-6-14(11-19)16(3)21-9-10-22-16/h14H,4-12H2,1-3H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 308.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 75520621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).