(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine

C10H18N4O — CID 94554646

IUPAC(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1cnnc1[C@@H]1CCCNC1
InChIInChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)9-3-2-4-11-7-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyJHXJOQLQANHYAW-SECBINFHSA-N
MW210.28 g/mol
LogP0.39
Rot. Bonds4

About (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine

(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 94554646) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID94554646
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1cnnc1[C@@H]1CCCNC1
InChIInChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)9-3-2-4-11-7-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyJHXJOQLQANHYAW-SECBINFHSA-N
XLogP0.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine (CID 94554646) is (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine is COCCn1cnnc1[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is JHXJOQLQANHYAW-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)9-3-2-4-11-7-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 210.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 94554646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).