1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol

C14H21FN2O — CID 106835532

IUPAC1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11,18H,4-7,9,16H2,1H3
InChIKeyZBOUDQXDJZIXHB-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 106835532) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID106835532
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11,18H,4-7,9,16H2,1H3
InChIKeyZBOUDQXDJZIXHB-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
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

5-fluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106836113
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
CID 61216485
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
CID 63156387
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
4-fluoro-3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103657062

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol (CID 106835532) is 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2cc(F)ccc2N)CC1.
What is the InChIKey of 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is ZBOUDQXDJZIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11,18H,4-7,9,16H2,1H3.
What are the key properties of 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).