(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride

C15H19ClN2O — CID 26191

IUPAC(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride
SMILESCC([NH2+]Cc1ccncc1)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C15H18N2O.ClH/c1-12(15(18)14-5-3-2-4-6-14)17-11-13-7-9-16-10-8-13;/h2-10,12,15,17-18H,11H2,1H3;1H
InChIKeyXXAXWBZFLPZZLY-UHFFFAOYSA-N
MW278.78 g/mol
LogP-1.73
Rot. Bonds5

About (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride

(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride (PubChem CID 26191) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride
PubChem CID26191
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride
SMILESCC([NH2+]Cc1ccncc1)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C15H18N2O.ClH/c1-12(15(18)14-5-3-2-4-6-14)17-11-13-7-9-16-10-8-13;/h2-10,12,15,17-18H,11H2,1H3;1H
InChIKeyXXAXWBZFLPZZLY-UHFFFAOYSA-N
XLogP-1.73
TPSA49.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride?
The IUPAC name of (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride (CID 26191) is (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride.
What is the SMILES notation for (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride?
The canonical SMILES for (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride is CC([NH2+]Cc1ccncc1)C(O)c1ccccc1.[Cl-].
What is the InChIKey of (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride?
The InChIKey is XXAXWBZFLPZZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-12(15(18)14-5-3-2-4-6-14)17-11-13-7-9-16-10-8-13;/h2-10,12,15,17-18H,11H2,1H3;1H.
What are the key properties of (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride?
(1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride has a molecular weight of 278.78 g/mol, XLogP of -1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phenylpropan-2-yl)-(pyridin-4-ylmethyl)azanium chloride is sourced from PubChem (CID 26191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).