4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine

C15H26N4O — CID 63875313

IUPAC4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C1CCCC1
InChIInChI=1S/C15H26N4O/c1-12-17-18-15(19(12)13-4-2-3-5-13)8-11-20-14-6-9-16-10-7-14/h13-14,16H,2-11H2,1H3
InChIKeyNAKQCWWFOVYNIP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.01
Rot. Bonds5

About 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine

4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 63875313) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID63875313
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C1CCCC1
InChIInChI=1S/C15H26N4O/c1-12-17-18-15(19(12)13-4-2-3-5-13)8-11-20-14-6-9-16-10-7-14/h13-14,16H,2-11H2,1H3
InChIKeyNAKQCWWFOVYNIP-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 63875313) is 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine is Cc1nnc(CCOC2CCNCC2)n1C1CCCC1.
What is the InChIKey of 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is NAKQCWWFOVYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-17-18-15(19(12)13-4-2-3-5-13)8-11-20-14-6-9-16-10-7-14/h13-14,16H,2-11H2,1H3.
What are the key properties of 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 278.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 63875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).