[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

C14H22NO2+ — CID 2223740

IUPAC[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol
SMILESCOc1ccccc1C[NH+]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H21NO2/c1-17-14-7-3-2-6-13(14)10-15-8-4-5-12(9-15)11-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3/p+1/t12-/m1/s1
InChIKeyKOCUWMIONUKZSP-GFCCVEGCSA-O
MW236.34 g/mol
LogP0.48
Rot. Bonds4

About [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol (PubChem CID 2223740) has the molecular formula C14H22NO2+ and a molecular weight of 236.34 g/mol. Its IUPAC name is [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol
PubChem CID2223740
Molecular FormulaC14H22NO2+
Molecular Weight236.34 g/mol
Exact Mass236.16
IUPAC Name[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol
SMILESCOc1ccccc1C[NH+]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H21NO2/c1-17-14-7-3-2-6-13(14)10-15-8-4-5-12(9-15)11-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3/p+1/t12-/m1/s1
InChIKeyKOCUWMIONUKZSP-GFCCVEGCSA-O
XLogP0.48
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanol
CID 6937809
[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
CID 4746691
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 2173552
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
1-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one
CID 8547465
N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903455
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-methylpiperidin-1-ium
CID 6943194
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6941527
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-ium-1-yl]methyl]phenol;bis(2-hydroxy-2-oxoacetate)
CID 10929779

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol (CID 2223740) is [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol is COc1ccccc1C[NH+]1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol?
The InChIKey is KOCUWMIONUKZSP-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H21NO2/c1-17-14-7-3-2-6-13(14)10-15-8-4-5-12(9-15)11-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol?
[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol has a molecular weight of 236.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol is sourced from PubChem (CID 2223740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).