formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine

C18H26N4O3 — CID 154908612

IUPACformic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine
SMILESCc1ccccc1OCC1CCCN(CCn2cnnc2)C1.O=CO
InChIInChI=1S/C17H24N4O.CH2O2/c1-15-5-2-3-7-17(15)22-12-16-6-4-8-20(11-16)9-10-21-13-18-19-14-21;2-1-3/h2-3,5,7,13-14,16H,4,6,8-12H2,1H3;1H,(H,2,3)
InChIKeyMOVJXWUPOHJMJV-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.08
Rot. Bonds6

About formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine

formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine (PubChem CID 154908612) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Nameformic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine
PubChem CID154908612
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameformic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine
SMILESCc1ccccc1OCC1CCCN(CCn2cnnc2)C1.O=CO
InChIInChI=1S/C17H24N4O.CH2O2/c1-15-5-2-3-7-17(15)22-12-16-6-4-8-20(11-16)9-10-21-13-18-19-14-21;2-1-3/h2-3,5,7,13-14,16H,4,6,8-12H2,1H3;1H,(H,2,3)
InChIKeyMOVJXWUPOHJMJV-UHFFFAOYSA-N
XLogP2.08
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-fluorophenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine;formic acid
CID 154909978
5-[[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131163
5-[[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131164
3-methoxy-4-[[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methoxy]benzonitrile
CID 155915213
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone
CID 92562113
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
3-benzyl-5-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45251270

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine?
The IUPAC name of formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine (CID 154908612) is formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine.
What is the SMILES notation for formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine?
The canonical SMILES for formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine is Cc1ccccc1OCC1CCCN(CCn2cnnc2)C1.O=CO.
What is the InChIKey of formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine?
The InChIKey is MOVJXWUPOHJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.CH2O2/c1-15-5-2-3-7-17(15)22-12-16-6-4-8-20(11-16)9-10-21-13-18-19-14-21;2-1-3/h2-3,5,7,13-14,16H,4,6,8-12H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine?
formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine has a molecular weight of 346.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 154908612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).