4-methoxy-2-[(2S)-piperidin-2-yl]phenol

C12H17NO2 — CID 131531573

IUPAC4-methoxy-2-[(2S)-piperidin-2-yl]phenol
SMILESCOc1ccc(O)c([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H17NO2/c1-15-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyZXMIDBPGSMZEBB-NSHDSACASA-N
MW207.27 g/mol
LogP2.22
Rot. Bonds2

About 4-methoxy-2-[(2S)-piperidin-2-yl]phenol

4-methoxy-2-[(2S)-piperidin-2-yl]phenol (PubChem CID 131531573) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-methoxy-2-[(2S)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(2S)-piperidin-2-yl]phenol
PubChem CID131531573
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-methoxy-2-[(2S)-piperidin-2-yl]phenol
SMILESCOc1ccc(O)c([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H17NO2/c1-15-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyZXMIDBPGSMZEBB-NSHDSACASA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2S)-piperidin-2-yl]phenol?
The IUPAC name of 4-methoxy-2-[(2S)-piperidin-2-yl]phenol (CID 131531573) is 4-methoxy-2-[(2S)-piperidin-2-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[(2S)-piperidin-2-yl]phenol?
The canonical SMILES for 4-methoxy-2-[(2S)-piperidin-2-yl]phenol is COc1ccc(O)c([C@@H]2CCCCN2)c1.
What is the InChIKey of 4-methoxy-2-[(2S)-piperidin-2-yl]phenol?
The InChIKey is ZXMIDBPGSMZEBB-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m0/s1.
What are the key properties of 4-methoxy-2-[(2S)-piperidin-2-yl]phenol?
4-methoxy-2-[(2S)-piperidin-2-yl]phenol has a molecular weight of 207.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2S)-piperidin-2-yl]phenol is sourced from PubChem (CID 131531573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).