formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol

C14H26N4O3 — CID 154909955

IUPACformic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol
SMILESCc1nncn1CCN1CCC(C(C)CO)CC1.O=CO
InChIInChI=1S/C13H24N4O.CH2O2/c1-11(9-18)13-3-5-16(6-4-13)7-8-17-10-14-15-12(17)2;2-1-3/h10-11,13,18H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyNBVFTEVMDCHTAZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.63
Rot. Bonds5

About formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol

formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol (PubChem CID 154909955) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Nameformic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol
PubChem CID154909955
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nameformic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol
SMILESCc1nncn1CCN1CCC(C(C)CO)CC1.O=CO
InChIInChI=1S/C13H24N4O.CH2O2/c1-11(9-18)13-3-5-16(6-4-13)7-8-17-10-14-15-12(17)2;2-1-3/h10-11,13,18H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyNBVFTEVMDCHTAZ-UHFFFAOYSA-N
XLogP0.63
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol (CID 154909955) is formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol is Cc1nncn1CCN1CCC(C(C)CO)CC1.O=CO.
What is the InChIKey of formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol?
The InChIKey is NBVFTEVMDCHTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.CH2O2/c1-11(9-18)13-3-5-16(6-4-13)7-8-17-10-14-15-12(17)2;2-1-3/h10-11,13,18H,3-9H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol?
formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 154909955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).