[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol

C12H17FN2O — CID 140572184

IUPAC[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
SMILESNc1ccc(N2CCCC(F)(CO)C2)cc1
InChIInChI=1S/C12H17FN2O/c13-12(9-16)6-1-7-15(8-12)11-4-2-10(14)3-5-11/h2-5,16H,1,6-9,14H2
InChIKeyYRBFHNSGXQKESQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.57
Rot. Bonds2

About [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol

[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol (PubChem CID 140572184) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
PubChem CID140572184
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
SMILESNc1ccc(N2CCCC(F)(CO)C2)cc1
InChIInChI=1S/C12H17FN2O/c13-12(9-16)6-1-7-15(8-12)11-4-2-10(14)3-5-11/h2-5,16H,1,6-9,14H2
InChIKeyYRBFHNSGXQKESQ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-1-phenylpiperidin-3-yl)methanamine
CID 115025936
[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
CID 139612456
4-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033479
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-[(3-fluoro-1-methylpiperidin-3-yl)methyl]aniline
CID 105479479
3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
CID 115055627
7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
CID 143182262
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
2-[1-(4-bromophenyl)-3-hydroxypiperidin-3-yl]acetic acid
CID 117002654

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol?
The IUPAC name of [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol (CID 140572184) is [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol is Nc1ccc(N2CCCC(F)(CO)C2)cc1.
What is the InChIKey of [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol?
The InChIKey is YRBFHNSGXQKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-12(9-16)6-1-7-15(8-12)11-4-2-10(14)3-5-11/h2-5,16H,1,6-9,14H2.
What are the key properties of [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol?
[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol is sourced from PubChem (CID 140572184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).