(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol

C13H20NO2+ — CID 7439248

IUPAC(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol
SMILESCOc1ccc(C[NH+]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-16-13-6-4-11(5-7-13)9-14-8-2-3-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/p+1/t12-/m1/s1
InChIKeyBHSIHYZSNGOYDV-GFCCVEGCSA-O
MW222.31 g/mol
LogP0.23
Rot. Bonds3

About (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol

(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol (PubChem CID 7439248) has the molecular formula C13H20NO2+ and a molecular weight of 222.31 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol
PubChem CID7439248
Molecular FormulaC13H20NO2+
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol
SMILESCOc1ccc(C[NH+]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-16-13-6-4-11(5-7-13)9-14-8-2-3-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/p+1/t12-/m1/s1
InChIKeyBHSIHYZSNGOYDV-GFCCVEGCSA-O
XLogP0.23
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 2173552
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-3-ol
CID 7439336
1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium
CID 7471844
(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
CID 6937934
1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7026518
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 6921279
1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8725206
1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8725199
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol (CID 7439248) is (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol is COc1ccc(C[NH+]2CCC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol?
The InChIKey is BHSIHYZSNGOYDV-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H19NO2/c1-16-13-6-4-11(5-7-13)9-14-8-2-3-12(15)10-14/h4-7,12,15H,2-3,8-10H2,1H3/p+1/t12-/m1/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol?
(3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol has a molecular weight of 222.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-ol is sourced from PubChem (CID 7439248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).