1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol

C16H25FN2O2 — CID 82135943

IUPAC1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
SMILESNc1cc(C(O)CCN2CCCCC2CCO)ccc1F
InChIInChI=1S/C16H25FN2O2/c17-14-5-4-12(11-15(14)18)16(21)6-9-19-8-2-1-3-13(19)7-10-20/h4-5,11,13,16,20-21H,1-3,6-10,18H2
InChIKeyUUPIGMWQAZGJSH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.07
Rot. Bonds6

About 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol

1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol (PubChem CID 82135943) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
PubChem CID82135943
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
SMILESNc1cc(C(O)CCN2CCCCC2CCO)ccc1F
InChIInChI=1S/C16H25FN2O2/c17-14-5-4-12(11-15(14)18)16(21)6-9-19-8-2-1-3-13(19)7-10-20/h4-5,11,13,16,20-21H,1-3,6-10,18H2
InChIKeyUUPIGMWQAZGJSH-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 82135958
1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62631035
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
CID 43519577

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol (CID 82135943) is 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol is Nc1cc(C(O)CCN2CCCCC2CCO)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The InChIKey is UUPIGMWQAZGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c17-14-5-4-12(11-15(14)18)16(21)6-9-19-8-2-1-3-13(19)7-10-20/h4-5,11,13,16,20-21H,1-3,6-10,18H2.
What are the key properties of 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol has a molecular weight of 296.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 82135943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).