2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol

C17H29N5O2 — CID 167897149

IUPAC2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCN(Cc2cn(CC3CCOC3)nn2)CC1
InChIInChI=1S/C17H29N5O2/c23-17-3-1-2-16(17)21-7-5-20(6-8-21)11-15-12-22(19-18-15)10-14-4-9-24-13-14/h12,14,16-17,23H,1-11,13H2
InChIKeyXUQNWRKYMVQFAO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.35
Rot. Bonds5

About 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol

2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol (PubChem CID 167897149) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol
PubChem CID167897149
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCN(Cc2cn(CC3CCOC3)nn2)CC1
InChIInChI=1S/C17H29N5O2/c23-17-3-1-2-16(17)21-7-5-20(6-8-21)11-15-12-22(19-18-15)10-14-4-9-24-13-14/h12,14,16-17,23H,1-11,13H2
InChIKeyXUQNWRKYMVQFAO-UHFFFAOYSA-N
XLogP0.35
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol (CID 167897149) is 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol is OC1CCCC1N1CCN(Cc2cn(CC3CCOC3)nn2)CC1.
What is the InChIKey of 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol?
The InChIKey is XUQNWRKYMVQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c23-17-3-1-2-16(17)21-7-5-20(6-8-21)11-15-12-22(19-18-15)10-14-4-9-24-13-14/h12,14,16-17,23H,1-11,13H2.
What are the key properties of 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol?
2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol has a molecular weight of 335.45 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 167897149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).