2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol

C12H15FN2O — CID 90706998

IUPAC2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol
SMILESNC(=C1CCNCC1)c1ccc(F)cc1O
InChIInChI=1S/C12H15FN2O/c13-9-1-2-10(11(16)7-9)12(14)8-3-5-15-6-4-8/h1-2,7,15-16H,3-6,14H2
InChIKeyVRVDMNZBNZPZFO-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.58
Rot. Bonds1

About 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol

2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol (PubChem CID 90706998) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol
PubChem CID90706998
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol
SMILESNC(=C1CCNCC1)c1ccc(F)cc1O
InChIInChI=1S/C12H15FN2O/c13-9-1-2-10(11(16)7-9)12(14)8-3-5-15-6-4-8/h1-2,7,15-16H,3-6,14H2
InChIKeyVRVDMNZBNZPZFO-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol?
The IUPAC name of 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol (CID 90706998) is 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol.
What is the SMILES notation for 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol?
The canonical SMILES for 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol is NC(=C1CCNCC1)c1ccc(F)cc1O.
What is the InChIKey of 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol?
The InChIKey is VRVDMNZBNZPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-9-1-2-10(11(16)7-9)12(14)8-3-5-15-6-4-8/h1-2,7,15-16H,3-6,14H2.
What are the key properties of 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol?
2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol has a molecular weight of 222.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(piperidin-4-ylidene)methyl]-5-fluorophenol is sourced from PubChem (CID 90706998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).