(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol

C15H24NO2+ — CID 6921279

IUPAC(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCOc1ccc(C[C@@H](O)C[NH+]2CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-15-7-5-13(6-8-15)11-14(17)12-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/p+1/t14-/m1/s1
InChIKeyVHLSAKLWWYXBNZ-CQSZACIVSA-O
MW250.36 g/mol
LogP0.67
Rot. Bonds5

About (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol

(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol (PubChem CID 6921279) has the molecular formula C15H24NO2+ and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
PubChem CID6921279
Molecular FormulaC15H24NO2+
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCOc1ccc(C[C@@H](O)C[NH+]2CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-15-7-5-13(6-8-15)11-14(17)12-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/p+1/t14-/m1/s1
InChIKeyVHLSAKLWWYXBNZ-CQSZACIVSA-O
XLogP0.67
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione
CID 3913349
N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 6963649
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol (CID 6921279) is (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol is COc1ccc(C[C@@H](O)C[NH+]2CCCCC2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The InChIKey is VHLSAKLWWYXBNZ-CQSZACIVSA-O. The full InChI is InChI=1S/C15H23NO2/c1-18-15-7-5-13(6-8-15)11-14(17)12-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/p+1/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol?
(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol has a molecular weight of 250.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 6921279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).