[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol

C18H19FN4O — CID 164836562

IUPAC[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol
SMILES[C-]#[N+]c1ccc(N2CCN(Cc3ccc(CO)cn3)CC2)c(F)c1
InChIInChI=1S/C18H19FN4O/c1-20-15-4-5-18(17(19)10-15)23-8-6-22(7-9-23)12-16-3-2-14(13-24)11-21-16/h2-5,10-11,24H,6-9,12-13H2
InChIKeyZYODQGQRKJOAEO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.59
Rot. Bonds4

About [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol

[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol (PubChem CID 164836562) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol
PubChem CID164836562
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol
SMILES[C-]#[N+]c1ccc(N2CCN(Cc3ccc(CO)cn3)CC2)c(F)c1
InChIInChI=1S/C18H19FN4O/c1-20-15-4-5-18(17(19)10-15)23-8-6-22(7-9-23)12-16-3-2-14(13-24)11-21-16/h2-5,10-11,24H,6-9,12-13H2
InChIKeyZYODQGQRKJOAEO-UHFFFAOYSA-N
XLogP2.59
TPSA43.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol 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 [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol (CID 164836562) is [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol is [C-]#[N+]c1ccc(N2CCN(Cc3ccc(CO)cn3)CC2)c(F)c1.
What is the InChIKey of [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol?
The InChIKey is ZYODQGQRKJOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-20-15-4-5-18(17(19)10-15)23-8-6-22(7-9-23)12-16-3-2-14(13-24)11-21-16/h2-5,10-11,24H,6-9,12-13H2.
What are the key properties of [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol?
[6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol has a molecular weight of 326.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 164836562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).