(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol

C13H20NO+ — CID 7354795

IUPAC(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
SMILESO[C@@H](C[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2/p+1/t13-/m0/s1
InChIKeyWMZSIEGEKUAGJB-ZDUSSCGKSA-O
MW206.31 g/mol
LogP0.79
Rot. Bonds3

About (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol

(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol (PubChem CID 7354795) has the molecular formula C13H20NO+ and a molecular weight of 206.31 g/mol. Its IUPAC name is (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
PubChem CID7354795
Molecular FormulaC13H20NO+
Molecular Weight206.31 g/mol
Exact Mass206.15
IUPAC Name(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
SMILESO[C@@H](C[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2/p+1/t13-/m0/s1
InChIKeyWMZSIEGEKUAGJB-ZDUSSCGKSA-O
XLogP0.79
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-1-phenylethanol
CID 6590867
1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate
CID 7175742
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-yl]phenol
CID 2428015
1-phenyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol chloride
CID 13724
(1S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-(4-chlorophenyl)ethanol
CID 7036635
1-[4-(2-hydroxy-2-phenylethyl)piperazine-1,4-diium-1-yl]-3-phenoxypropan-2-ol dichloride
CID 110176964
(1S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenylethanol
CID 9248094
(1S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-phenylethanol
CID 9248196
1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylacetate
CID 4683134
[(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylacetate
CID 6956995
(1S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-bromophenyl)ethanol
CID 7107356
3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 5037308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol?
The IUPAC name of (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol (CID 7354795) is (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol.
What is the SMILES notation for (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol?
The canonical SMILES for (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol is O[C@@H](C[NH+]1CCCCC1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol?
The InChIKey is WMZSIEGEKUAGJB-ZDUSSCGKSA-O. The full InChI is InChI=1S/C13H19NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2/p+1/t13-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol?
(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol has a molecular weight of 206.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol is sourced from PubChem (CID 7354795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).