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

C11H20N4O — CID 63875999

IUPAC4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine
SMILESCCCn1cnnc1COC1CCNCC1
InChIInChI=1S/C11H20N4O/c1-2-7-15-9-13-14-11(15)8-16-10-3-5-12-6-4-10/h9-10,12H,2-8H2,1H3
InChIKeyMJGLRCILUXBWDW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds5

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

4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine (PubChem CID 63875999) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine
PubChem CID63875999
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine
SMILESCCCn1cnnc1COC1CCNCC1
InChIInChI=1S/C11H20N4O/c1-2-7-15-9-13-14-11(15)8-16-10-3-5-12-6-4-10/h9-10,12H,2-8H2,1H3
InChIKeyMJGLRCILUXBWDW-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine dihydrochloride
CID 86811670
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
2-(1H-1,2,4-triazol-5-ylmethyl)morpholine
CID 19966927
N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine
CID 67754572
1-Tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 118230662
4-[3-(Methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 118232809
(3S)-3-[(4-methyl-1,2,4-triazol-3-yl)methoxymethyl]piperidine;hydrochloride
CID 140121431

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The IUPAC name of 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine (CID 63875999) is 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The canonical SMILES for 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine is CCCn1cnnc1COC1CCNCC1.
What is the InChIKey of 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The InChIKey is MJGLRCILUXBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-7-15-9-13-14-11(15)8-16-10-3-5-12-6-4-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine?
4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propyl-1,2,4-triazol-3-yl)methoxy]piperidine is sourced from PubChem (CID 63875999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).