1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine

C11H18N4O — CID 167829844

IUPAC1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESC1CCN(c2n[nH]c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-6-15(7-3-1)11-12-10(13-14-11)9-5-4-8-16-9/h9H,1-8H2,(H,12,13,14)/t9-/m1/s1
InChIKeyPYVPKHDGLRLYFX-SECBINFHSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds2

About 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine

1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 167829844) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID167829844
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESC1CCN(c2n[nH]c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-6-15(7-3-1)11-12-10(13-14-11)9-5-4-8-16-9/h9H,1-8H2,(H,12,13,14)/t9-/m1/s1
InChIKeyPYVPKHDGLRLYFX-SECBINFHSA-N
XLogP1.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine (CID 167829844) is 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine is C1CCN(c2n[nH]c([C@H]3CCCO3)n2)CC1.
What is the InChIKey of 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is PYVPKHDGLRLYFX-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-6-15(7-3-1)11-12-10(13-14-11)9-5-4-8-16-9/h9H,1-8H2,(H,12,13,14)/t9-/m1/s1.
What are the key properties of 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine?
1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 222.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 167829844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).