4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol

C14H21FN2O — CID 103949282

IUPAC4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCCN1CCCCC1
InChIInChI=1S/C14H21FN2O/c15-13-4-5-14(18)12(10-13)11-16-6-9-17-7-2-1-3-8-17/h4-5,10,16,18H,1-3,6-9,11H2
InChIKeyDIPOBVAJLIIIBA-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.11
Rot. Bonds5

About 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol

4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol (PubChem CID 103949282) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
PubChem CID103949282
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCCN1CCCCC1
InChIInChI=1S/C14H21FN2O/c15-13-4-5-14(18)12(10-13)11-16-6-9-17-7-2-1-3-8-17/h4-5,10,16,18H,1-3,6-9,11H2
InChIKeyDIPOBVAJLIIIBA-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
CID 60970497
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol (CID 103949282) is 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol is Oc1ccc(F)cc1CNCCN1CCCCC1.
What is the InChIKey of 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol?
The InChIKey is DIPOBVAJLIIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-13-4-5-14(18)12(10-13)11-16-6-9-17-7-2-1-3-8-17/h4-5,10,16,18H,1-3,6-9,11H2.
What are the key properties of 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol?
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol has a molecular weight of 252.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol is sourced from PubChem (CID 103949282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).