2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol

C15H26N4O — CID 29001022

IUPAC2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCN(C3CCC3)CC2)nn1
InChIInChI=1S/C15H26N4O/c1-15(2,20)14-11-19(17-16-14)10-12-6-8-18(9-7-12)13-4-3-5-13/h11-13,20H,3-10H2,1-2H3
InChIKeyWZOHDMXLBIAPBF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds4

About 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol

2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol (PubChem CID 29001022) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
PubChem CID29001022
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCN(C3CCC3)CC2)nn1
InChIInChI=1S/C15H26N4O/c1-15(2,20)14-11-19(17-16-14)10-12-6-8-18(9-7-12)13-4-3-5-13/h11-13,20H,3-10H2,1-2H3
InChIKeyWZOHDMXLBIAPBF-UHFFFAOYSA-N
XLogP1.77
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol (CID 29001022) is 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(CC2CCN(C3CCC3)CC2)nn1.
What is the InChIKey of 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol?
The InChIKey is WZOHDMXLBIAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,20)14-11-19(17-16-14)10-12-6-8-18(9-7-12)13-4-3-5-13/h11-13,20H,3-10H2,1-2H3.
What are the key properties of 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol?
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29001022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).