4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol

C12H17FN2O — CID 118140415

IUPAC4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNC1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-2,7,11,14-16H,3-6,8H2
InChIKeyNQPCUZKSQHKSAY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds3

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

4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol (PubChem CID 118140415) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
PubChem CID118140415
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNC1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-2,7,11,14-16H,3-6,8H2
InChIKeyNQPCUZKSQHKSAY-UHFFFAOYSA-N
XLogP1.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
CID 113356898
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol (CID 118140415) is 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol is Oc1ccc(F)cc1CNC1CCNCC1.
What is the InChIKey of 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol?
The InChIKey is NQPCUZKSQHKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-2,7,11,14-16H,3-6,8H2.
What are the key properties of 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol?
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol has a molecular weight of 224.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol is sourced from PubChem (CID 118140415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).