[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol

C12H17FN2O — CID 60877658

IUPAC[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
SMILESNc1cc(F)cc(N2CCC(CO)CC2)c1
InChIInChI=1S/C12H17FN2O/c13-10-5-11(14)7-12(6-10)15-3-1-9(8-16)2-4-15/h5-7,9,16H,1-4,8,14H2
InChIKeyKECRWDZONNWDHV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.62
Rot. Bonds2

About [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol

[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol (PubChem CID 60877658) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
PubChem CID60877658
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
SMILESNc1cc(F)cc(N2CCC(CO)CC2)c1
InChIInChI=1S/C12H17FN2O/c13-10-5-11(14)7-12(6-10)15-3-1-9(8-16)2-4-15/h5-7,9,16H,1-4,8,14H2
InChIKeyKECRWDZONNWDHV-UHFFFAOYSA-N
XLogP1.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
CID 54988921
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
CID 60876528
3-fluoro-5-(2-methylazetidin-1-yl)aniline
CID 107335478
3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
CID 107335472
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 113295802
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
3,5-difluoroaniline;2-piperidin-4-ylethanol
CID 69483809
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoroaniline
CID 63151057

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol (CID 60877658) is [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol is Nc1cc(F)cc(N2CCC(CO)CC2)c1.
What is the InChIKey of [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol?
The InChIKey is KECRWDZONNWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-5-11(14)7-12(6-10)15-3-1-9(8-16)2-4-15/h5-7,9,16H,1-4,8,14H2.
What are the key properties of [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol?
[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 60877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).