4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine

C11H20N4O — CID 163222633

IUPAC4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine
SMILESCC(C)OC1CCN(Cc2cn[nH]n2)CC1
InChIInChI=1S/C11H20N4O/c1-9(2)16-11-3-5-15(6-4-11)8-10-7-12-14-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,12,13,14)
InChIKeyXJQSKCZJKNZLBN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.19
Rot. Bonds4

About 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine

4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine (PubChem CID 163222633) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine
PubChem CID163222633
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine
SMILESCC(C)OC1CCN(Cc2cn[nH]n2)CC1
InChIInChI=1S/C11H20N4O/c1-9(2)16-11-3-5-15(6-4-11)8-10-7-12-14-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,12,13,14)
InChIKeyXJQSKCZJKNZLBN-UHFFFAOYSA-N
XLogP1.19
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine?
The IUPAC name of 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine (CID 163222633) is 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine.
What is the SMILES notation for 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine?
The canonical SMILES for 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine is CC(C)OC1CCN(Cc2cn[nH]n2)CC1.
What is the InChIKey of 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine?
The InChIKey is XJQSKCZJKNZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)16-11-3-5-15(6-4-11)8-10-7-12-14-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,12,13,14).
What are the key properties of 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine?
4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine has a molecular weight of 224.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(2H-triazol-4-ylmethyl)piperidine is sourced from PubChem (CID 163222633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).