2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol

C12H15F3N2O — CID 168654651

IUPAC2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol
SMILESNc1c(O)cccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)8-3-2-6-17(7-8)9-4-1-5-10(18)11(9)16/h1,4-5,8,18H,2-3,6-7,16H2
InChIKeyMDBFJLOQVWUTBN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.75
Rot. Bonds1

About 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol

2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol (PubChem CID 168654651) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol.

Molecular Properties

Compound Name2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol
PubChem CID168654651
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol
SMILESNc1c(O)cccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)8-3-2-6-17(7-8)9-4-1-5-10(18)11(9)16/h1,4-5,8,18H,2-3,6-7,16H2
InChIKeyMDBFJLOQVWUTBN-UHFFFAOYSA-N
XLogP2.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 104540507
2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 60677832
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79009309
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]aniline
CID 97044380
2,3-diamino-6-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 67958270
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 107110319
5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline
CID 169488631
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129372273
6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
CID 79825633
3-chloro-N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 77073276
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 107106996

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol?
The IUPAC name of 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol (CID 168654651) is 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol.
What is the SMILES notation for 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol?
The canonical SMILES for 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol is Nc1c(O)cccc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol?
The InChIKey is MDBFJLOQVWUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)8-3-2-6-17(7-8)9-4-1-5-10(18)11(9)16/h1,4-5,8,18H,2-3,6-7,16H2.
What are the key properties of 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol?
2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol has a molecular weight of 260.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]phenol is sourced from PubChem (CID 168654651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).