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

C14H21NO2 — CID 102960094

IUPAC(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
SMILESCOC1CCCN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-11(16)12-5-7-13(8-6-12)15-9-3-4-14(10-15)17-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t11-,14?/m1/s1
InChIKeyUEBRHTLBQSRVBX-YNODCEANSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds3

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

(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol (PubChem CID 102960094) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
PubChem CID102960094
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
SMILESCOC1CCCN(c2ccc([C@@H](C)O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-11(16)12-5-7-13(8-6-12)15-9-3-4-14(10-15)17-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t11-,14?/m1/s1
InChIKeyUEBRHTLBQSRVBX-YNODCEANSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
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-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
3-methoxy-1-phenylpiperidine
CID 70382121
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
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
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
(1R)-1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanol
CID 81199057
(1S)-1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanol
CID 81199998
(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79934675

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol (CID 102960094) is (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol is COC1CCCN(c2ccc([C@@H](C)O)cc2)C1.
What is the InChIKey of (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol?
The InChIKey is UEBRHTLBQSRVBX-YNODCEANSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(16)12-5-7-13(8-6-12)15-9-3-4-14(10-15)17-2/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol?
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 102960094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).