2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol

C12H16FNO — CID 131447438

IUPAC2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
SMILESCc1cc(F)c(O)c([C@H]2CCCCN2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-9(12(15)10(13)7-8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3/t11-/m1/s1
InChIKeyZREFTDMQHSAKSQ-LLVKDONJSA-N
MW209.26 g/mol
LogP2.65
Rot. Bonds1

About 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol

2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol (PubChem CID 131447438) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
PubChem CID131447438
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
SMILESCc1cc(F)c(O)c([C@H]2CCCCN2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-9(12(15)10(13)7-8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3/t11-/m1/s1
InChIKeyZREFTDMQHSAKSQ-LLVKDONJSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
CID 117426620
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
CID 55265546
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperidine
CID 117338941
3-[(2R)-azetidin-2-yl]-2-hydroxy-5-methylbenzoic acid
CID 171259780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol?
The IUPAC name of 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol (CID 131447438) is 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol is Cc1cc(F)c(O)c([C@H]2CCCCN2)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol?
The InChIKey is ZREFTDMQHSAKSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-9(12(15)10(13)7-8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3/t11-/m1/s1.
What are the key properties of 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol?
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol is sourced from PubChem (CID 131447438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).