2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide

C14H20FN3O2 — CID 103948078

IUPAC2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc(F)ccc2O)CC1
InChIInChI=1S/C14H20FN3O2/c15-11-1-2-13(19)10(7-11)8-17-12-3-5-18(6-4-12)9-14(16)20/h1-2,7,12,17,19H,3-6,8-9H2,(H2,16,20)
InChIKeySWHYJFRXYONMOL-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.57
Rot. Bonds5

About 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide

2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 103948078) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID103948078
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc(F)ccc2O)CC1
InChIInChI=1S/C14H20FN3O2/c15-11-1-2-13(19)10(7-11)8-17-12-3-5-18(6-4-12)9-14(16)20/h1-2,7,12,17,19H,3-6,8-9H2,(H2,16,20)
InChIKeySWHYJFRXYONMOL-UHFFFAOYSA-N
XLogP0.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
CID 115298747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide (CID 103948078) is 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2cc(F)ccc2O)CC1.
What is the InChIKey of 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is SWHYJFRXYONMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-11-1-2-13(19)10(7-11)8-17-12-3-5-18(6-4-12)9-14(16)20/h1-2,7,12,17,19H,3-6,8-9H2,(H2,16,20).
What are the key properties of 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 281.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 103948078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).