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

C10H18N4O — CID 62711764

IUPAC4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1cnnc1C1CCNCC1
InChIInChI=1S/C10H18N4O/c1-15-7-6-14-8-12-13-10(14)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyBKLRBCJHTBEKTG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.39
Rot. Bonds4

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

4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 62711764) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID62711764
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1cnnc1C1CCNCC1
InChIInChI=1S/C10H18N4O/c1-15-7-6-14-8-12-13-10(14)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyBKLRBCJHTBEKTG-UHFFFAOYSA-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 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine (CID 62711764) is 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine is COCCn1cnnc1C1CCNCC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is BKLRBCJHTBEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-7-6-14-8-12-13-10(14)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine?
4-[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 4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 62711764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).