3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol

C15H23FN2O2 — CID 168597205

IUPAC3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol
SMILESCC1CCN(c2ccc(NCC(O)CO)cc2F)CC1
InChIInChI=1S/C15H23FN2O2/c1-11-4-6-18(7-5-11)15-3-2-12(8-14(15)16)17-9-13(20)10-19/h2-3,8,11,13,17,19-20H,4-7,9-10H2,1H3
InChIKeyHPHRCLSTZODGKS-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.83
Rot. Bonds5

About 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol

3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol (PubChem CID 168597205) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol
PubChem CID168597205
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol
SMILESCC1CCN(c2ccc(NCC(O)CO)cc2F)CC1
InChIInChI=1S/C15H23FN2O2/c1-11-4-6-18(7-5-11)15-3-2-12(8-14(15)16)17-9-13(20)10-19/h2-3,8,11,13,17,19-20H,4-7,9-10H2,1H3
InChIKeyHPHRCLSTZODGKS-UHFFFAOYSA-N
XLogP1.83
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol 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-(4-methylpiperidin-1-yl)-4-methylsulfonylanilino]propane-1,2-diol
CID 168594853
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
CID 66700439
1-[4-(2,3-dihydroxypropylamino)-2-nitrophenyl]piperidine-4-carboxamide
CID 168596836
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol
CID 168595759
3-(4-methylsulfonyl-3-piperidin-1-ylanilino)propane-1,2-diol
CID 168594715
3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
5-(2,3-dihydroxypropylamino)-2-fluorobenzoic acid
CID 168594042
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amino]propane-1,2-diol
CID 168597315
3-fluoro-4-(4-methylpiperidin-1-yl)benzenecarbothioamide
CID 43657662

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol (CID 168597205) is 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol is CC1CCN(c2ccc(NCC(O)CO)cc2F)CC1.
What is the InChIKey of 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol?
The InChIKey is HPHRCLSTZODGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11-4-6-18(7-5-11)15-3-2-12(8-14(15)16)17-9-13(20)10-19/h2-3,8,11,13,17,19-20H,4-7,9-10H2,1H3.
What are the key properties of 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol?
3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol has a molecular weight of 282.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).