[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol

C12H17FN2O — CID 43133145

IUPAC[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
SMILESNc1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-10(14)1-2-12(11)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2
InChIKeyGSGPUWLIFNRQAP-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.62
Rot. Bonds2

About [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol

[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol (PubChem CID 43133145) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
PubChem CID43133145
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
SMILESNc1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-10(14)1-2-12(11)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2
InChIKeyGSGPUWLIFNRQAP-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
[1-(2-fluoro-4-iodophenyl)piperidin-4-yl]methanol
CID 155172642
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
CID 170748965
5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol
CID 166999948
tert-butyl N-[2-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]ethyl]carbamate
CID 59204945

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol (CID 43133145) is [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol is Nc1ccc(N2CCC(CO)CC2)c(F)c1.
What is the InChIKey of [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol?
The InChIKey is GSGPUWLIFNRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-7-10(14)1-2-12(11)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2.
What are the key properties of [1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol?
[1-(4-amino-2-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-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 43133145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).