4-methoxy-3-piperidin-3-ylphenol

C12H17NO2 — CID 117296244

IUPAC4-methoxy-3-piperidin-3-ylphenol
SMILESCOc1ccc(O)cc1C1CCCNC1
InChIInChI=1S/C12H17NO2/c1-15-12-5-4-10(14)7-11(12)9-3-2-6-13-8-9/h4-5,7,9,13-14H,2-3,6,8H2,1H3
InChIKeyHSIOXIPSPBMJNB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds2

About 4-methoxy-3-piperidin-3-ylphenol

4-methoxy-3-piperidin-3-ylphenol (PubChem CID 117296244) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-methoxy-3-piperidin-3-ylphenol.

Molecular Properties

Compound Name4-methoxy-3-piperidin-3-ylphenol
PubChem CID117296244
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-methoxy-3-piperidin-3-ylphenol
SMILESCOc1ccc(O)cc1C1CCCNC1
InChIInChI=1S/C12H17NO2/c1-15-12-5-4-10(14)7-11(12)9-3-2-6-13-8-9/h4-5,7,9,13-14H,2-3,6,8H2,1H3
InChIKeyHSIOXIPSPBMJNB-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-piperidin-3-ylphenol?
The IUPAC name of 4-methoxy-3-piperidin-3-ylphenol (CID 117296244) is 4-methoxy-3-piperidin-3-ylphenol.
What is the SMILES notation for 4-methoxy-3-piperidin-3-ylphenol?
The canonical SMILES for 4-methoxy-3-piperidin-3-ylphenol is COc1ccc(O)cc1C1CCCNC1.
What is the InChIKey of 4-methoxy-3-piperidin-3-ylphenol?
The InChIKey is HSIOXIPSPBMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-5-4-10(14)7-11(12)9-3-2-6-13-8-9/h4-5,7,9,13-14H,2-3,6,8H2,1H3.
What are the key properties of 4-methoxy-3-piperidin-3-ylphenol?
4-methoxy-3-piperidin-3-ylphenol has a molecular weight of 207.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-piperidin-3-ylphenol is sourced from PubChem (CID 117296244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).