(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol

C15H23NO2 — CID 106587670

IUPAC(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESCOCC1CCCN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C15H23NO2/c1-12(17)14-5-7-15(8-6-14)16-9-3-4-13(10-16)11-18-2/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyXXVOXOAWCMOUQL-PZORYLMUSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds4

About (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol

(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 106587670) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID106587670
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESCOCC1CCCN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C15H23NO2/c1-12(17)14-5-7-15(8-6-14)16-9-3-4-13(10-16)11-18-2/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyXXVOXOAWCMOUQL-PZORYLMUSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
CID 106585865
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79934675
2-bromo-4-[3-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107282373
3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
CID 106585811
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol
CID 115560514

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol (CID 106587670) is (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol is COCC1CCCN(c2ccc([C@@H](C)O)cc2)C1.
What is the InChIKey of (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is XXVOXOAWCMOUQL-PZORYLMUSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(17)14-5-7-15(8-6-14)16-9-3-4-13(10-16)11-18-2/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol?
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 106587670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).